(3S,6S)-3-methyl-6-prop-1-en-2-ylcyclohexene

C10H16 — CID 22831540

IUPAC(3S,6S)-3-methyl-6-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C@@H]1C=C[C@@H](C)CC1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9-10H,1,5,7H2,2-3H3/t9-,10-/m1/s1
InChIKeyTWCNAXRPQBLSNO-NXEZZACHSA-N
MW136.24 g/mol
LogP3.16
Rot. Bonds1

About (3S,6S)-3-methyl-6-prop-1-en-2-ylcyclohexene

(3S,6S)-3-methyl-6-prop-1-en-2-ylcyclohexene (PubChem CID 22831540) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (3S,6S)-3-methyl-6-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name(3S,6S)-3-methyl-6-prop-1-en-2-ylcyclohexene
PubChem CID22831540
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(3S,6S)-3-methyl-6-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C@@H]1C=C[C@@H](C)CC1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9-10H,1,5,7H2,2-3H3/t9-,10-/m1/s1
InChIKeyTWCNAXRPQBLSNO-NXEZZACHSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3S,6S)-3-methyl-6-prop-1-en-2-ylcyclohexene 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 (3S,6S)-3-methyl-6-prop-1-en-2-ylcyclohexene?
The IUPAC name of (3S,6S)-3-methyl-6-prop-1-en-2-ylcyclohexene (CID 22831540) is (3S,6S)-3-methyl-6-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for (3S,6S)-3-methyl-6-prop-1-en-2-ylcyclohexene?
The canonical SMILES for (3S,6S)-3-methyl-6-prop-1-en-2-ylcyclohexene is C=C(C)[C@@H]1C=C[C@@H](C)CC1.
What is the InChIKey of (3S,6S)-3-methyl-6-prop-1-en-2-ylcyclohexene?
The InChIKey is TWCNAXRPQBLSNO-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9-10H,1,5,7H2,2-3H3/t9-,10-/m1/s1.
What are the key properties of (3S,6S)-3-methyl-6-prop-1-en-2-ylcyclohexene?
(3S,6S)-3-methyl-6-prop-1-en-2-ylcyclohexene has a molecular weight of 136.24 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3-methyl-6-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 22831540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).