cis-(2R,3R)-2-hydroxy-3-methyl-2-prop-2-enylcyclohexan-1-one

C10H16O2 — CID 14470980

IUPACcis-(2R,3R)-2-hydroxy-3-methyl-2-prop-2-enylcyclohexan-1-one
SMILESC=CC[C@]1(O)C(=O)CCC[C@H]1C
InChIInChI=1S/C10H16O2/c1-3-7-10(12)8(2)5-4-6-9(10)11/h3,8,12H,1,4-7H2,2H3/t8-,10-/m1/s1
InChIKeyVDTDISCGQMEIEH-PSASIEDQSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds2

About cis-(2R,3R)-2-hydroxy-3-methyl-2-prop-2-enylcyclohexan-1-one

cis-(2R,3R)-2-hydroxy-3-methyl-2-prop-2-enylcyclohexan-1-one (PubChem CID 14470980) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is cis-(2R,3R)-2-hydroxy-3-methyl-2-prop-2-enylcyclohexan-1-one.

Molecular Properties

Compound Namecis-(2R,3R)-2-hydroxy-3-methyl-2-prop-2-enylcyclohexan-1-one
PubChem CID14470980
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namecis-(2R,3R)-2-hydroxy-3-methyl-2-prop-2-enylcyclohexan-1-one
SMILESC=CC[C@]1(O)C(=O)CCC[C@H]1C
InChIInChI=1S/C10H16O2/c1-3-7-10(12)8(2)5-4-6-9(10)11/h3,8,12H,1,4-7H2,2H3/t8-,10-/m1/s1
InChIKeyVDTDISCGQMEIEH-PSASIEDQSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

trans-(2R,3S)-3-hydroxy-2-methyl-2-prop-2-enylcyclohexan-1-one
CID 11229012
trans-(2S,3R)-3-hydroxy-2-methyl-2-prop-2-enylcyclohexan-1-one
CID 10725788
(1R)-2-methyl-1-prop-2-enylcyclopentan-1-ol
CID 147800064
2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one
CID 130028580
2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid
CID 68881461
2-amino-2,3-dimethylcyclohexan-1-one
CID 141130912
2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one
CID 45098397
cis-(2R,3R)-2,3-dimethyl-2-[(Z)-3-methylpent-2-en-4-ynyl]cyclohexan-1-one
CID 101485696
trans-(2S,3R)-3-(methoxymethoxy)-2-(2-oxopropyl)-2-prop-2-enylcyclohexan-1-one
CID 53341825
trans-(2R,3S)-3-(methoxymethoxy)-2-(2-oxopropyl)-2-prop-2-enylcyclohexan-1-one
CID 53343978
(1S,6R)-7-methyl-7-prop-2-enylbicyclo[4.1.0]heptan-2-one
CID 134924832
2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 131021386

Frequently Asked Questions

What is the IUPAC name of cis-(2R,3R)-2-hydroxy-3-methyl-2-prop-2-enylcyclohexan-1-one?
The IUPAC name of cis-(2R,3R)-2-hydroxy-3-methyl-2-prop-2-enylcyclohexan-1-one (CID 14470980) is cis-(2R,3R)-2-hydroxy-3-methyl-2-prop-2-enylcyclohexan-1-one.
What is the SMILES notation for cis-(2R,3R)-2-hydroxy-3-methyl-2-prop-2-enylcyclohexan-1-one?
The canonical SMILES for cis-(2R,3R)-2-hydroxy-3-methyl-2-prop-2-enylcyclohexan-1-one is C=CC[C@]1(O)C(=O)CCC[C@H]1C.
What is the InChIKey of cis-(2R,3R)-2-hydroxy-3-methyl-2-prop-2-enylcyclohexan-1-one?
The InChIKey is VDTDISCGQMEIEH-PSASIEDQSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-7-10(12)8(2)5-4-6-9(10)11/h3,8,12H,1,4-7H2,2H3/t8-,10-/m1/s1.
What are the key properties of cis-(2R,3R)-2-hydroxy-3-methyl-2-prop-2-enylcyclohexan-1-one?
cis-(2R,3R)-2-hydroxy-3-methyl-2-prop-2-enylcyclohexan-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3R)-2-hydroxy-3-methyl-2-prop-2-enylcyclohexan-1-one is sourced from PubChem (CID 14470980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).