Cyclopentane, 1-methyl-3-(1-methylethyl)-
PubChem CID: 521465
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| Compound Synonyms | Cyclopentane, 1-methyl-3-(1-methylethyl)-, 53771-88-3, 1-methyl-3-(1-methylethyl)cyclopentane, 1-Isopropyl-3-methylcyclopentane, 1-methyl-3-isopropylcyclopentane, cis, trans, 1-methyl-3-isopropylcyclopentane, DTXSID10334641, CDTDMKCVKCGRPD-UHFFFAOYSA-N, 1-Isopropyl-3-methylcyclopentane #, DB-301474 |
|---|---|
| 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, Menthane monoterpenoids, Monocyclic monoterpenoids |
| Deep Smiles | CCCCCC5)CC)C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 84.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-3-propan-2-ylcyclopentane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H18 |
| Scaffold Graph Node Bond Level | C1CCCC1 |
| Inchi Key | CDTDMKCVKCGRPD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1-methyl-3-(1-methylethyl)-cyclopentane, cis-1-methyl-3-isopropyl-cyclopentane |
| Esol Class | Soluble |
| Compound Name | Cyclopentane, 1-methyl-3-(1-methylethyl)- |
| Exact Mass | 126.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 126.24 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H18/c1-7(2)9-5-4-8(3)6-9/h7-9H,4-6H2,1-3H3 |
| Smiles | CC1CCC(C1)C(C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids, Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls, Monoterpenoids |
- 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 Litsea Cubeba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2013.775081