(5R)-5-(1,2-dimethylcyclopropyl)-2-methylcyclohex-2-en-1-one

C12H18O — CID 162016091

IUPAC(5R)-5-(1,2-dimethylcyclopropyl)-2-methylcyclohex-2-en-1-one
SMILESCC1=CC[C@@H](C2(C)CC2C)CC1=O
InChIInChI=1S/C12H18O/c1-8-4-5-10(6-11(8)13)12(3)7-9(12)2/h4,9-10H,5-7H2,1-3H3/t9?,10-,12?/m1/s1
InChIKeyCKHUEABGPIFAFA-SQLBVSGCSA-N
MW178.28 g/mol
LogP2.96
Rot. Bonds1

About (5R)-5-(1,2-dimethylcyclopropyl)-2-methylcyclohex-2-en-1-one

(5R)-5-(1,2-dimethylcyclopropyl)-2-methylcyclohex-2-en-1-one (PubChem CID 162016091) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (5R)-5-(1,2-dimethylcyclopropyl)-2-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-5-(1,2-dimethylcyclopropyl)-2-methylcyclohex-2-en-1-one
PubChem CID162016091
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(5R)-5-(1,2-dimethylcyclopropyl)-2-methylcyclohex-2-en-1-one
SMILESCC1=CC[C@@H](C2(C)CC2C)CC1=O
InChIInChI=1S/C12H18O/c1-8-4-5-10(6-11(8)13)12(3)7-9(12)2/h4,9-10H,5-7H2,1-3H3/t9?,10-,12?/m1/s1
InChIKeyCKHUEABGPIFAFA-SQLBVSGCSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5S)-2,5-dimethylcyclohex-2-en-1-one;ethane
CID 142025260
5-[2-(hydroxymethyl)aziridin-2-yl]-2-methylcyclohex-2-en-1-one
CID 123699069
5-methyl-5-(4-methyl-5-oxocyclohex-3-en-1-yl)-4H-1,2-oxazole-3-carboxylic acid
CID 53397149
(5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one
CID 15277926
ethyl (5S)-5-methyl-5-[(1R)-4-methyl-5-oxocyclohex-3-en-1-yl]-4H-1,2-oxazole-3-carboxylate
CID 29089244
5-butyl-2-methylcyclohex-2-en-1-one
CID 12827096
cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel
CID 87784204
2-methyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-one
CID 67152484
5-but-1-en-2-yl-2-methylcyclohex-2-en-1-one
CID 142437984
5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one
CID 139655338
(5S)-5-[(2R)-1,2-dibromopropan-2-yl]-2-methylcyclohex-2-en-1-one
CID 171803239
(5R)-5-(3-bromoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one
CID 11345224

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1,2-dimethylcyclopropyl)-2-methylcyclohex-2-en-1-one?
The IUPAC name of (5R)-5-(1,2-dimethylcyclopropyl)-2-methylcyclohex-2-en-1-one (CID 162016091) is (5R)-5-(1,2-dimethylcyclopropyl)-2-methylcyclohex-2-en-1-one.
What is the SMILES notation for (5R)-5-(1,2-dimethylcyclopropyl)-2-methylcyclohex-2-en-1-one?
The canonical SMILES for (5R)-5-(1,2-dimethylcyclopropyl)-2-methylcyclohex-2-en-1-one is CC1=CC[C@@H](C2(C)CC2C)CC1=O.
What is the InChIKey of (5R)-5-(1,2-dimethylcyclopropyl)-2-methylcyclohex-2-en-1-one?
The InChIKey is CKHUEABGPIFAFA-SQLBVSGCSA-N. The full InChI is InChI=1S/C12H18O/c1-8-4-5-10(6-11(8)13)12(3)7-9(12)2/h4,9-10H,5-7H2,1-3H3/t9?,10-,12?/m1/s1.
What are the key properties of (5R)-5-(1,2-dimethylcyclopropyl)-2-methylcyclohex-2-en-1-one?
(5R)-5-(1,2-dimethylcyclopropyl)-2-methylcyclohex-2-en-1-one has a molecular weight of 178.28 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1,2-dimethylcyclopropyl)-2-methylcyclohex-2-en-1-one is sourced from PubChem (CID 162016091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).