2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]cyclohex-2-en-1-one

C15H22O — CID 18649848

IUPAC2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]cyclohex-2-en-1-one
SMILESCC1=CC([C@H]2CC=C(C)C2(C)C)CCC1=O
InChIInChI=1S/C15H22O/c1-10-9-12(6-8-14(10)16)13-7-5-11(2)15(13,3)4/h5,9,12-13H,6-8H2,1-4H3/t12?,13-/m1/s1
InChIKeyDOGMLTMTGQZRRL-ZGTCLIOFSA-N
MW218.34 g/mol
LogP3.90
Rot. Bonds1

About 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]cyclohex-2-en-1-one

2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]cyclohex-2-en-1-one (PubChem CID 18649848) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]cyclohex-2-en-1-one
PubChem CID18649848
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]cyclohex-2-en-1-one
SMILESCC1=CC([C@H]2CC=C(C)C2(C)C)CCC1=O
InChIInChI=1S/C15H22O/c1-10-9-12(6-8-14(10)16)13-7-5-11(2)15(13,3)4/h5,9,12-13H,6-8H2,1-4H3/t12?,13-/m1/s1
InChIKeyDOGMLTMTGQZRRL-ZGTCLIOFSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-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 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]cyclohex-2-en-1-one?
The IUPAC name of 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]cyclohex-2-en-1-one (CID 18649848) is 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]cyclohex-2-en-1-one.
What is the SMILES notation for 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]cyclohex-2-en-1-one?
The canonical SMILES for 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]cyclohex-2-en-1-one is CC1=CC([C@H]2CC=C(C)C2(C)C)CCC1=O.
What is the InChIKey of 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]cyclohex-2-en-1-one?
The InChIKey is DOGMLTMTGQZRRL-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H22O/c1-10-9-12(6-8-14(10)16)13-7-5-11(2)15(13,3)4/h5,9,12-13H,6-8H2,1-4H3/t12?,13-/m1/s1.
What are the key properties of 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]cyclohex-2-en-1-one?
2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]cyclohex-2-en-1-one has a molecular weight of 218.34 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]cyclohex-2-en-1-one is sourced from PubChem (CID 18649848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).