3-hydroxy-2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one

C11H18O2 — CID 155931426

IUPAC3-hydroxy-2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one
SMILESC=C(C)C1(O)CCCC(=O)C1(C)C
InChIInChI=1S/C11H18O2/c1-8(2)11(13)7-5-6-9(12)10(11,3)4/h13H,1,5-7H2,2-4H3
InChIKeyHQQRJGYFUYVCGT-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.07
Rot. Bonds1

About 3-hydroxy-2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one

3-hydroxy-2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one (PubChem CID 155931426) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one
PubChem CID155931426
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-hydroxy-2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one
SMILESC=C(C)C1(O)CCCC(=O)C1(C)C
InChIInChI=1S/C11H18O2/c1-8(2)11(13)7-5-6-9(12)10(11,3)4/h13H,1,5-7H2,2-4H3
InChIKeyHQQRJGYFUYVCGT-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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5-Hydroxydihydrocarvone
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CID 15276081
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CID 131007710
1-[(1S,2R)-3-ethenyl-2-hydroxy-1,2-dimethylcyclohexyl]ethanone
CID 134930772
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3-Ethenyl-3-hydroxy-2-methylcyclohexan-1-one
CID 155931588
3-Ethenyl-3-hydroxy-2-prop-2-enylcyclohexan-1-one
CID 155931589
(3aS,7aS)-5-deuterio-7a-hydroxy-3a-methyl-3,5,6,7-tetrahydroinden-4-one
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one?
The IUPAC name of 3-hydroxy-2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one (CID 155931426) is 3-hydroxy-2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one is C=C(C)C1(O)CCCC(=O)C1(C)C.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one?
The InChIKey is HQQRJGYFUYVCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(2)11(13)7-5-6-9(12)10(11,3)4/h13H,1,5-7H2,2-4H3.
What are the key properties of 3-hydroxy-2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one?
3-hydroxy-2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one is sourced from PubChem (CID 155931426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).