3-(cyclopentylmethyl)-5,5-dimethylcyclohex-2-en-1-ol

C14H24O — CID 65177206

IUPAC3-(cyclopentylmethyl)-5,5-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)CC(CC2CCCC2)=CC(O)C1
InChIInChI=1S/C14H24O/c1-14(2)9-12(8-13(15)10-14)7-11-5-3-4-6-11/h8,11,13,15H,3-7,9-10H2,1-2H3
InChIKeyVFQSMXMTZZQRJG-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.67
Rot. Bonds2

About 3-(cyclopentylmethyl)-5,5-dimethylcyclohex-2-en-1-ol

3-(cyclopentylmethyl)-5,5-dimethylcyclohex-2-en-1-ol (PubChem CID 65177206) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-5,5-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-5,5-dimethylcyclohex-2-en-1-ol
PubChem CID65177206
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name3-(cyclopentylmethyl)-5,5-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)CC(CC2CCCC2)=CC(O)C1
InChIInChI=1S/C14H24O/c1-14(2)9-12(8-13(15)10-14)7-11-5-3-4-6-11/h8,11,13,15H,3-7,9-10H2,1-2H3
InChIKeyVFQSMXMTZZQRJG-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxypropyl)-5,5-dimethylcyclohex-2-en-1-ol
CID 130131017
3-decyl-5,5-dimethylcyclohex-2-en-1-ol
CID 65177036
3-[(4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
CID 65176868
3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
CID 65174607
5,5-dimethyl-3-(2-propan-2-ylsulfonylethyl)cyclohex-2-en-1-ol
CID 106732475
3-[(5-ethyl-2-pyridinyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
CID 79738881
5,5-dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-ol
CID 65177148
3-(oxan-4-ylmethyl)cyclohex-2-en-1-ol
CID 65177375
(3-chlorocyclopenten-1-yl)methylcyclohexane
CID 65175889
4-(cyclohexylmethyl)-1,6-dimethyl-3,6-dihydro-2H-pyridine
CID 155107113
4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-1(11)-en-10-ol
CID 14286031
3-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylcyclohex-2-en-1-ol
CID 114194594

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-5,5-dimethylcyclohex-2-en-1-ol?
The IUPAC name of 3-(cyclopentylmethyl)-5,5-dimethylcyclohex-2-en-1-ol (CID 65177206) is 3-(cyclopentylmethyl)-5,5-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-(cyclopentylmethyl)-5,5-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for 3-(cyclopentylmethyl)-5,5-dimethylcyclohex-2-en-1-ol is CC1(C)CC(CC2CCCC2)=CC(O)C1.
What is the InChIKey of 3-(cyclopentylmethyl)-5,5-dimethylcyclohex-2-en-1-ol?
The InChIKey is VFQSMXMTZZQRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-14(2)9-12(8-13(15)10-14)7-11-5-3-4-6-11/h8,11,13,15H,3-7,9-10H2,1-2H3.
What are the key properties of 3-(cyclopentylmethyl)-5,5-dimethylcyclohex-2-en-1-ol?
3-(cyclopentylmethyl)-5,5-dimethylcyclohex-2-en-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-5,5-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 65177206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).