(5R)-1-methyl-5-propan-2-ylcyclohexene

C10H18 — CID 91700558

IUPAC(5R)-1-methyl-5-propan-2-ylcyclohexene
SMILESCC1=CCC[C@@H](C(C)C)C1
InChIInChI=1S/C10H18/c1-8(2)10-6-4-5-9(3)7-10/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1
InChIKeyXLXFKTBBODPBMN-SNVBAGLBSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds1

About (5R)-1-methyl-5-propan-2-ylcyclohexene

(5R)-1-methyl-5-propan-2-ylcyclohexene (PubChem CID 91700558) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (5R)-1-methyl-5-propan-2-ylcyclohexene.

Molecular Properties

Compound Name(5R)-1-methyl-5-propan-2-ylcyclohexene
PubChem CID91700558
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(5R)-1-methyl-5-propan-2-ylcyclohexene
SMILESCC1=CCC[C@@H](C(C)C)C1
InChIInChI=1S/C10H18/c1-8(2)10-6-4-5-9(3)7-10/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1
InChIKeyXLXFKTBBODPBMN-SNVBAGLBSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (5R)-1-methyl-5-propan-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 (5R)-1-methyl-5-propan-2-ylcyclohexene?
The IUPAC name of (5R)-1-methyl-5-propan-2-ylcyclohexene (CID 91700558) is (5R)-1-methyl-5-propan-2-ylcyclohexene.
What is the SMILES notation for (5R)-1-methyl-5-propan-2-ylcyclohexene?
The canonical SMILES for (5R)-1-methyl-5-propan-2-ylcyclohexene is CC1=CCC[C@@H](C(C)C)C1.
What is the InChIKey of (5R)-1-methyl-5-propan-2-ylcyclohexene?
The InChIKey is XLXFKTBBODPBMN-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18/c1-8(2)10-6-4-5-9(3)7-10/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1.
What are the key properties of (5R)-1-methyl-5-propan-2-ylcyclohexene?
(5R)-1-methyl-5-propan-2-ylcyclohexene has a molecular weight of 138.25 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-methyl-5-propan-2-ylcyclohexene is sourced from PubChem (CID 91700558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).