4-cycloprop-2-en-1-yl-2,5-dimethylcyclohexan-1-ol

C11H18O — CID 163493450

IUPAC4-cycloprop-2-en-1-yl-2,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C2C=C2)C(C)CC1O
InChIInChI=1S/C11H18O/c1-7-6-11(12)8(2)5-10(7)9-3-4-9/h3-4,7-12H,5-6H2,1-2H3
InChIKeyCOOMNXVRCOGNKA-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.22
Rot. Bonds1

About 4-cycloprop-2-en-1-yl-2,5-dimethylcyclohexan-1-ol

4-cycloprop-2-en-1-yl-2,5-dimethylcyclohexan-1-ol (PubChem CID 163493450) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4-cycloprop-2-en-1-yl-2,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name4-cycloprop-2-en-1-yl-2,5-dimethylcyclohexan-1-ol
PubChem CID163493450
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4-cycloprop-2-en-1-yl-2,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C2C=C2)C(C)CC1O
InChIInChI=1S/C11H18O/c1-7-6-11(12)8(2)5-10(7)9-3-4-9/h3-4,7-12H,5-6H2,1-2H3
InChIKeyCOOMNXVRCOGNKA-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.22
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

trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
3-(2-methylcyclopropyl)cyclohexa-1,4-diene
CID 163922418
(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol
CID 131177200
4,5-dimethylcyclohexane-1,2-diol
CID 13429582
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991
(1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-ol
CID 23268682
2-(2-hydroxypropan-2-yl)-5-methylcyclohexane-1,4-diol
CID 85106753
(1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol
CID 91437445
cis-(2R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol
CID 157009951
9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 58312204
5-fluoro-2,4-dimethylcyclohexan-1-ol
CID 138514168
4,7,7-trimethylbicyclo[4.1.1]octan-3-ol
CID 90911661

Frequently Asked Questions

What is the IUPAC name of 4-cycloprop-2-en-1-yl-2,5-dimethylcyclohexan-1-ol?
The IUPAC name of 4-cycloprop-2-en-1-yl-2,5-dimethylcyclohexan-1-ol (CID 163493450) is 4-cycloprop-2-en-1-yl-2,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 4-cycloprop-2-en-1-yl-2,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 4-cycloprop-2-en-1-yl-2,5-dimethylcyclohexan-1-ol is CC1CC(C2C=C2)C(C)CC1O.
What is the InChIKey of 4-cycloprop-2-en-1-yl-2,5-dimethylcyclohexan-1-ol?
The InChIKey is COOMNXVRCOGNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-7-6-11(12)8(2)5-10(7)9-3-4-9/h3-4,7-12H,5-6H2,1-2H3.
What are the key properties of 4-cycloprop-2-en-1-yl-2,5-dimethylcyclohexan-1-ol?
4-cycloprop-2-en-1-yl-2,5-dimethylcyclohexan-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloprop-2-en-1-yl-2,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 163493450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).