(6R)-3-methyl-6-[(2R)-6-oxoheptan-2-yl]cyclohex-2-en-1-one

C14H22O2 — CID 163038658

IUPAC(6R)-3-methyl-6-[(2R)-6-oxoheptan-2-yl]cyclohex-2-en-1-one
SMILESCC(=O)CCC[C@@H](C)[C@H]1CCC(C)=CC1=O
InChIInChI=1S/C14H22O2/c1-10-7-8-13(14(16)9-10)11(2)5-4-6-12(3)15/h9,11,13H,4-8H2,1-3H3/t11-,13-/m1/s1
InChIKeyXLPCKRSTCQYWCT-DGCLKSJQSA-N
MW222.33 g/mol
LogP3.31
Rot. Bonds5

About (6R)-3-methyl-6-[(2R)-6-oxoheptan-2-yl]cyclohex-2-en-1-one

(6R)-3-methyl-6-[(2R)-6-oxoheptan-2-yl]cyclohex-2-en-1-one (PubChem CID 163038658) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (6R)-3-methyl-6-[(2R)-6-oxoheptan-2-yl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-3-methyl-6-[(2R)-6-oxoheptan-2-yl]cyclohex-2-en-1-one
PubChem CID163038658
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(6R)-3-methyl-6-[(2R)-6-oxoheptan-2-yl]cyclohex-2-en-1-one
SMILESCC(=O)CCC[C@@H](C)[C@H]1CCC(C)=CC1=O
InChIInChI=1S/C14H22O2/c1-10-7-8-13(14(16)9-10)11(2)5-4-6-12(3)15/h9,11,13H,4-8H2,1-3H3/t11-,13-/m1/s1
InChIKeyXLPCKRSTCQYWCT-DGCLKSJQSA-N
XLogP3.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6R)-3-methyl-6-[(2R)-6-oxoheptan-2-yl]cyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-3-methyl-6-[(2R)-6-oxoheptan-2-yl]cyclohex-2-en-1-one?
The IUPAC name of (6R)-3-methyl-6-[(2R)-6-oxoheptan-2-yl]cyclohex-2-en-1-one (CID 163038658) is (6R)-3-methyl-6-[(2R)-6-oxoheptan-2-yl]cyclohex-2-en-1-one.
What is the SMILES notation for (6R)-3-methyl-6-[(2R)-6-oxoheptan-2-yl]cyclohex-2-en-1-one?
The canonical SMILES for (6R)-3-methyl-6-[(2R)-6-oxoheptan-2-yl]cyclohex-2-en-1-one is CC(=O)CCC[C@@H](C)[C@H]1CCC(C)=CC1=O.
What is the InChIKey of (6R)-3-methyl-6-[(2R)-6-oxoheptan-2-yl]cyclohex-2-en-1-one?
The InChIKey is XLPCKRSTCQYWCT-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H22O2/c1-10-7-8-13(14(16)9-10)11(2)5-4-6-12(3)15/h9,11,13H,4-8H2,1-3H3/t11-,13-/m1/s1.
What are the key properties of (6R)-3-methyl-6-[(2R)-6-oxoheptan-2-yl]cyclohex-2-en-1-one?
(6R)-3-methyl-6-[(2R)-6-oxoheptan-2-yl]cyclohex-2-en-1-one has a molecular weight of 222.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-methyl-6-[(2R)-6-oxoheptan-2-yl]cyclohex-2-en-1-one is sourced from PubChem (CID 163038658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).