3-Methyl-1-penten-3-ol
PubChem CID: 13519
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| Compound Synonyms | 3-Methyl-1-penten-3-ol, 918-85-4, 3-Methylpent-1-en-3-ol, Ethylbutenol, 1-PENTEN-3-OL, 3-METHYL-, Methylethylvinylcarbinol, EINECS 213-044-2, NSC 128156, BRN 1361621, AI3-25136, 3-Methyl-penten-(1)-ol-(3), DTXSID90870794, 4-01-00-02147 (Beilstein Handbook Reference), (.+/-.)-3-Methyl-1-penten-3-ol, 3-Methyl-penten-(1)-ol-(3) [German], NSC128156, (+/-)-3-METHYL-1-PENTEN-3-OL, ethyl methyl vinyl carbinol, SCHEMBL123229, CHEBI:88375, DTXCID60818486, 3-Methyl-1-penten-3-ol, 99%, AKOS009157020, NSC-128156, NS00041614, F87391, Q27160219 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids, Fatty alcohols |
| Deep Smiles | CCC=C))CC))O |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 68.6 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylpent-1-en-3-ol |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.3 |
| Superclass | Organic oxygen compounds |
| Subclass | Alcohols and polyols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12O |
| Inchi Key | HFYAEUXHCMTPOL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 3-methyl-1-penten-3-ol |
| Esol Class | Very soluble |
| Functional Groups | C=CC, CO |
| Compound Name | 3-Methyl-1-penten-3-ol |
| Kingdom | Organic compounds |
| Exact Mass | 100.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 100.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 100.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H12O/c1-4-6(3,7)5-2/h4,7H,1,5H2,2-3H3 |
| Smiles | CCC(C)(C=C)O |
| Np Classifier Biosynthetic Pathway | Fatty acids, Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Tertiary alcohols |
| Np Classifier Superclass | Fatty acyls, Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Glanduliferum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699065