(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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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).