1-ethenyl-2-hexylcyclopentan-1-ol

C13H24O — CID 118116896

IUPAC1-ethenyl-2-hexylcyclopentan-1-ol
SMILESC=CC1(O)CCCC1CCCCCC
InChIInChI=1S/C13H24O/c1-3-5-6-7-9-12-10-8-11-13(12,14)4-2/h4,12,14H,2-3,5-11H2,1H3
InChIKeyXRJIRJAYXWQZDQ-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.67
Rot. Bonds6

About 1-ethenyl-2-hexylcyclopentan-1-ol

1-ethenyl-2-hexylcyclopentan-1-ol (PubChem CID 118116896) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-ethenyl-2-hexylcyclopentan-1-ol.

Molecular Properties

Compound Name1-ethenyl-2-hexylcyclopentan-1-ol
PubChem CID118116896
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-ethenyl-2-hexylcyclopentan-1-ol
SMILESC=CC1(O)CCCC1CCCCCC
InChIInChI=1S/C13H24O/c1-3-5-6-7-9-12-10-8-11-13(12,14)4-2/h4,12,14H,2-3,5-11H2,1H3
InChIKeyXRJIRJAYXWQZDQ-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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-cyclopropyl-2-pentylcyclopentan-1-ol
CID 118117047
4-octylspiro[4.5]decane
CID 139968258
trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol
CID 10702229
2-heptyl-1,1-dimethylcycloundecane
CID 174977900
1-methyl-2-pentylcyclopropan-1-ol
CID 15701982
cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol
CID 14219057
phosphane;1,1,2-trihexyl-6-octylcyclohexane
CID 118159998
2-butyl-1-ethynylcyclopentan-1-ol
CID 23346684
trans-(1R,2S)-2-butyl-1-hydroxycyclopentane-1-carbonitrile
CID 71415303
methyl (3S)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate
CID 102135150
methyl (3R)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate
CID 102135149
(2R)-1,1-difluoro-2-octylcyclopropane
CID 122227717

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-hexylcyclopentan-1-ol?
The IUPAC name of 1-ethenyl-2-hexylcyclopentan-1-ol (CID 118116896) is 1-ethenyl-2-hexylcyclopentan-1-ol.
What is the SMILES notation for 1-ethenyl-2-hexylcyclopentan-1-ol?
The canonical SMILES for 1-ethenyl-2-hexylcyclopentan-1-ol is C=CC1(O)CCCC1CCCCCC.
What is the InChIKey of 1-ethenyl-2-hexylcyclopentan-1-ol?
The InChIKey is XRJIRJAYXWQZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-3-5-6-7-9-12-10-8-11-13(12,14)4-2/h4,12,14H,2-3,5-11H2,1H3.
What are the key properties of 1-ethenyl-2-hexylcyclopentan-1-ol?
1-ethenyl-2-hexylcyclopentan-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-hexylcyclopentan-1-ol is sourced from PubChem (CID 118116896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).