(5S)-4,4,5-trimethylcyclohexene

C9H16 — CID 123287242

IUPAC(5S)-4,4,5-trimethylcyclohexene
SMILESC[C@H]1CC=CCC1(C)C
InChIInChI=1S/C9H16/c1-8-6-4-5-7-9(8,2)3/h4-5,8H,6-7H2,1-3H3/t8-/m0/s1
InChIKeyMERPMDDBDFASEC-QMMMGPOBSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds

About (5S)-4,4,5-trimethylcyclohexene

(5S)-4,4,5-trimethylcyclohexene (PubChem CID 123287242) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (5S)-4,4,5-trimethylcyclohexene.

Molecular Properties

Compound Name(5S)-4,4,5-trimethylcyclohexene
PubChem CID123287242
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(5S)-4,4,5-trimethylcyclohexene
SMILESC[C@H]1CC=CCC1(C)C
InChIInChI=1S/C9H16/c1-8-6-4-5-7-9(8,2)3/h4-5,8H,6-7H2,1-3H3/t8-/m0/s1
InChIKeyMERPMDDBDFASEC-QMMMGPOBSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (5S)-4,4,5-trimethylcyclohexene 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 (5S)-4,4,5-trimethylcyclohexene?
The IUPAC name of (5S)-4,4,5-trimethylcyclohexene (CID 123287242) is (5S)-4,4,5-trimethylcyclohexene.
What is the SMILES notation for (5S)-4,4,5-trimethylcyclohexene?
The canonical SMILES for (5S)-4,4,5-trimethylcyclohexene is C[C@H]1CC=CCC1(C)C.
What is the InChIKey of (5S)-4,4,5-trimethylcyclohexene?
The InChIKey is MERPMDDBDFASEC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16/c1-8-6-4-5-7-9(8,2)3/h4-5,8H,6-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (5S)-4,4,5-trimethylcyclohexene?
(5S)-4,4,5-trimethylcyclohexene has a molecular weight of 124.23 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4,4,5-trimethylcyclohexene is sourced from PubChem (CID 123287242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).