(4R,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one

C10H14O2 — CID 10820956

IUPAC(4R,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)[C@H]1C[C@@H](O)C(C)=CC1=O
InChIInChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,8-9,11H,1,5H2,2-3H3/t8-,9-/m1/s1
InChIKeyZHSOLIOSYCMSOH-RKDXNWHRSA-N
MW166.22 g/mol
LogP1.46
Rot. Bonds1

About (4R,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one

(4R,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 10820956) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (4R,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID10820956
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(4R,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)[C@H]1C[C@@H](O)C(C)=CC1=O
InChIInChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,8-9,11H,1,5H2,2-3H3/t8-,9-/m1/s1
InChIKeyZHSOLIOSYCMSOH-RKDXNWHRSA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.46
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

(4S,6S)-4-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
CID 130858490
6,8-dihydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 14543473
(3S,4aR,5S,7R,8S)-7,8-dihydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 155543118
(3S,4aR,5S,7R)-7-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 132520159
(2R,6S)-2-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-one
CID 102181609
1-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-1,4a,5,6,7,8-hexahydronaphthalen-2-one
CID 162855920
(4S)-4-hydroxy-3-methylcyclohex-2-en-1-one
CID 11550009
(4aR,6R,8R,8aR)-8-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-1,4a,5,6,7,8-hexahydronaphthalen-2-one
CID 24786662
(6S)-6-acetyl-3-methylcyclohex-2-en-1-one
CID 92840169
(6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-one
CID 10931798
methyl (1R,5S)-5-acetyloxy-2-methyl-4-oxocyclohex-2-ene-1-carboxylate
CID 102385443
(1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol
CID 10266146

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of (4R,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one (CID 10820956) is (4R,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for (4R,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for (4R,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one is C=C(C)[C@H]1C[C@@H](O)C(C)=CC1=O.
What is the InChIKey of (4R,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is ZHSOLIOSYCMSOH-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,8-9,11H,1,5H2,2-3H3/t8-,9-/m1/s1.
What are the key properties of (4R,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one?
(4R,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 10820956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).