(1R,2Z)-2-octylidenecyclopentan-1-ol

C13H24O — CID 177383761

IUPAC(1R,2Z)-2-octylidenecyclopentan-1-ol
SMILESCCCCCCC/C=C1/CCC[C@H]1O
InChIInChI=1S/C13H24O/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14/h9,13-14H,2-8,10-11H2,1H3/b12-9-/t13-/m1/s1
InChIKeyMNKOMZOVSBCAJO-KIWPFMIBSA-N
MW196.33 g/mol
LogP3.82
Rot. Bonds6

About (1R,2Z)-2-octylidenecyclopentan-1-ol

(1R,2Z)-2-octylidenecyclopentan-1-ol (PubChem CID 177383761) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (1R,2Z)-2-octylidenecyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2Z)-2-octylidenecyclopentan-1-ol
PubChem CID177383761
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(1R,2Z)-2-octylidenecyclopentan-1-ol
SMILESCCCCCCC/C=C1/CCC[C@H]1O
InChIInChI=1S/C13H24O/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14/h9,13-14H,2-8,10-11H2,1H3/b12-9-/t13-/m1/s1
InChIKeyMNKOMZOVSBCAJO-KIWPFMIBSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-nonylidenecyclopentane
CID 123463809
cis-(1S,2S,3Z)-2-(propylamino)-3-tetradecylidenecyclohexan-1-ol
CID 24936308
(2Z)-2-(6,6-dimethoxyhexylidene)cyclopentan-1-ol
CID 11665782
3-hexadecylidenecyclohexan-1-ol
CID 91228547
(2Z)-2-(5,5-dimethoxypentylidene)cyclohexan-1-ol
CID 11601054
[(2E)-2-hexylidenecyclopentyl]benzene
CID 15354301
ethyl 2-(2-hydroxy-6-tetradecylidenecyclohexyl)sulfanylacetate
CID 70350422
dodecylidenecyclobutane
CID 176570971
decylidenecyclobutane
CID 15365573
heptadecylidenecyclopropane
CID 19760704
2-ethylidenecyclopentan-1-ol
CID 72740887
2-(2-hexylidenecyclopentyl)ethylbenzene
CID 71320397

Frequently Asked Questions

What is the IUPAC name of (1R,2Z)-2-octylidenecyclopentan-1-ol?
The IUPAC name of (1R,2Z)-2-octylidenecyclopentan-1-ol (CID 177383761) is (1R,2Z)-2-octylidenecyclopentan-1-ol.
What is the SMILES notation for (1R,2Z)-2-octylidenecyclopentan-1-ol?
The canonical SMILES for (1R,2Z)-2-octylidenecyclopentan-1-ol is CCCCCCC/C=C1/CCC[C@H]1O.
What is the InChIKey of (1R,2Z)-2-octylidenecyclopentan-1-ol?
The InChIKey is MNKOMZOVSBCAJO-KIWPFMIBSA-N. The full InChI is InChI=1S/C13H24O/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14/h9,13-14H,2-8,10-11H2,1H3/b12-9-/t13-/m1/s1.
What are the key properties of (1R,2Z)-2-octylidenecyclopentan-1-ol?
(1R,2Z)-2-octylidenecyclopentan-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2Z)-2-octylidenecyclopentan-1-ol is sourced from PubChem (CID 177383761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).