1-Ethynylcyclopentanol
PubChem CID: 87074
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| Compound Synonyms | 1-Ethynylcyclopentanol, 17356-19-3, Cyclopentanol, 1-ethynyl-, 1-ethynylcyclopentan-1-ol, 1-Ethynyl-1-cyclopentanol, EINECS 241-385-7, MFCD00001365, NSC 134047, 1-ethynyl-cyclopentan-1-ol, 6LB5RD2XU4, AI3-37705, DTXSID2066191, NSC-134047, Cyclopentanol, ethynyl-, Cyclopentyl ethynyl carbinol, NSC134047, 1-ethinylcyclopentanol, 1-ethynyl-cyclopentanol, UNII-6LB5RD2XU4, SCHEMBL26489, 1-Ethynylcyclopentanol, 98%, 1-ethynyl-1-hydroxycyclopentane, DTXCID4035542, STK523245, AKOS005454374, AB91835, AT31549, BS-42141, DA-09304, SY061841, NS00025700, EN300-205175, Z57953034, F8883-8235, 241-385-7 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | C#CCO)CCCC5 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 123.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethynylcyclopentan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H10O |
| Scaffold Graph Node Bond Level | C1CCCC1 |
| Inchi Key | LQMDOONLLAJAPZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1-ethynyl-cyclopentanol |
| Esol Class | Very soluble |
| Functional Groups | C#CC, CO |
| Compound Name | 1-Ethynylcyclopentanol |
| Exact Mass | 110.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 110.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 110.15 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H10O/c1-2-7(8)5-3-4-6-7/h1,8H,3-6H2 |
| Smiles | C#CC1(CCCC1)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965