3-methylidene-4-prop-1-en-2-ylcyclohexan-1-ol

C10H16O — CID 102239818

IUPAC3-methylidene-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1CCC(O)CC1=C
InChIInChI=1S/C10H16O/c1-7(2)10-5-4-9(11)6-8(10)3/h9-11H,1,3-6H2,2H3
InChIKeySATKHHWXAOEPFJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.28
Rot. Bonds1

About 3-methylidene-4-prop-1-en-2-ylcyclohexan-1-ol

3-methylidene-4-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 102239818) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-methylidene-4-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-methylidene-4-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID102239818
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-methylidene-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1CCC(O)CC1=C
InChIInChI=1S/C10H16O/c1-7(2)10-5-4-9(11)6-8(10)3/h9-11H,1,3-6H2,2H3
InChIKeySATKHHWXAOEPFJ-UHFFFAOYSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.28
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

(-)-Isopulegol
CID 170833
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-
CID 24585
2-Methylidene-5-(prop-1-en-2-yl)cyclohexan-1-ol
CID 527427
Neoisopulegol
CID 6553885
Cyclohexanol, 2-methylene-5-(1-methylethenyl)-, (1S-cis)-
CID 12642439
cis-p-Mentha-1(7),8-dien-2-ol
CID 6429040
Isopulegol, (+)-
CID 1268090
trans-1(7),8-p-Menthadien-2-ol
CID 6428442
(1R,2R,5R)-5-Methyl-2-(prop-1-en-2-yl)cyclohexanol
CID 7057941
Neoisopulegol, (-)-
CID 7057942
p-Menth-1(7)-en-9-ol
CID 564610
o-Mentha-1(7),8-dien-3-ol
CID 564552

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-4-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of 3-methylidene-4-prop-1-en-2-ylcyclohexan-1-ol (CID 102239818) is 3-methylidene-4-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for 3-methylidene-4-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for 3-methylidene-4-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)C1CCC(O)CC1=C.
What is the InChIKey of 3-methylidene-4-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is SATKHHWXAOEPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7(2)10-5-4-9(11)6-8(10)3/h9-11H,1,3-6H2,2H3.
What are the key properties of 3-methylidene-4-prop-1-en-2-ylcyclohexan-1-ol?
3-methylidene-4-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 102239818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).