Methylcyclopentane
PubChem CID: 7296
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| Compound Synonyms | METHYLCYCLOPENTANE, 96-37-7, Cyclopentane, methyl-, Methyl cyclopentane, Methylpentamethylene, Methyl-cyclopentane, CCRIS 6058, HSDB 876, UNII-5G26CC1ASK, EINECS 202-503-2, 5G26CC1ASK, NSC 24836, BRN 1900214, DTXSID3025590, CHEBI:88429, NSC-24836, DTXCID205590, 4-05-00-00084 (Beilstein Handbook Reference), UN2298, cyclopentylmethane, cyclopentane, methyl, MFCD00001382, Methylcyclopentane, 97%, Methylcyclopentane [UN2298] [Flammable liquid], WLN: L5TJ A1, CHEMBL30940, NSC24836, UFA12051, Tox21_202882, AKOS015842660, Methylcyclopentane, analytical standard, UN 2298, CAS-96-37-7, NCGC00260428-01, M0203, NS00019504, Methylcyclopentane [UN2298] [Flammable liquid], Q412979, InChI=1/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H, 202-503-2, 5310-57-6, Cyclopentane, methyl-, Methylcyclopentane, 1-Methyl-cyclopentanecarbaldehyde, Methycyclopentane, NSC 24836 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCC5 |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Saturated hydrocarbons |
| Description | Isolated from Helianthus annuus (sunflower). |
| Scaffold Graph Node Level | C1CCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 33.3 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q16236, P04792, P19838, P05412 |
| Iupac Name | methylcyclopentane |
| Class | Alkanes |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.4 |
| Superclass | Hydrocarbons |
| Subclass | Cycloalkanes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12 |
| Scaffold Graph Node Bond Level | C1CCCC1 |
| Inchi Key | GDOPTJXRTPNYNR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| State | Liquid |
| Synonyms | Cyclopentane, methyl-, Methyl cyclopentane, Methylcyclopentane [UN2298] [Flammable liquid], Methylpentamethylene, Methyl-cyclopentane, methyl-cyclopentane, methylcyclopentane |
| Substituent Name | Cycloalkane, Aliphatic homomonocyclic compound |
| Esol Class | Soluble |
| Compound Name | Methylcyclopentane |
| Kingdom | Organic compounds |
| Exact Mass | 84.0939 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 84.0939 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 84.16 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3 |
| Smiles | CC1CCCC1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Cycloalkanes |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698798 - 2. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698759 - 3. Outgoing r'ship
FOUND_INto/from Pistacia Chinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700907 - 4. Outgoing r'ship
FOUND_INto/from Salvia Leucantha (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1506711 - 5. Outgoing r'ship
FOUND_INto/from Vitex Negundo (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643549