(5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one

C10H16O2 — CID 10888312

IUPAC(5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
SMILESC=C(C)[C@@H]1CCC(C)(O)C(=O)C1
InChIInChI=1S/C10H16O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10?/m1/s1
InChIKeyJEQLRDRDFLXSHY-HNHGDDPOSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds1

About (5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one

(5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one (PubChem CID 10888312) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name(5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
PubChem CID10888312
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
SMILESC=C(C)[C@@H]1CCC(C)(O)C(=O)C1
InChIInChI=1S/C10H16O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10?/m1/s1
InChIKeyJEQLRDRDFLXSHY-HNHGDDPOSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.68
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

(2S,5R)-2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone
CID 443522
(1R,4S)-1-hydroxylimonen-2-one
CID 24883459
1-Hydroxymenth-8-en-2-one
CID 262800
2-(4-Hydroxy-4-methylcyclohexyl)prop-2-enal
CID 10080768
Cyclohexanone, 2-hydroxy-5-methyl-2-(1-methylethenyl)-
CID 12280158
5-Hydroxydihydrocarvone
CID 20029402
2-hydroxy-2-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]propan-1-one
CID 101267962
2-Hydroperoxy-5-methyl-2-(1-methylethenyl)cyclohexan-1-one
CID 129739661
Hydroxygermacrone
CID 129891596
2-But-3-en-2-yl-2-hydroxycyclohexan-1-one
CID 13056272
(2R)-2-hydroxy-2-[(3S)-pent-1-en-3-yl]cyclohexan-1-one
CID 102505763
(2R)-2-[(3S)-hex-1-en-3-yl]-2-hydroxycyclohexan-1-one
CID 102505764

Frequently Asked Questions

What is the IUPAC name of (5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one?
The IUPAC name of (5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one (CID 10888312) is (5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one.
What is the SMILES notation for (5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one?
The canonical SMILES for (5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one is C=C(C)[C@@H]1CCC(C)(O)C(=O)C1.
What is the InChIKey of (5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one?
The InChIKey is JEQLRDRDFLXSHY-HNHGDDPOSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10?/m1/s1.
What are the key properties of (5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one?
(5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one is sourced from PubChem (CID 10888312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).