6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene

C11H18 — CID 140839402

IUPAC6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
SMILESC=CC1(C)CCC2CCCC21
InChIInChI=1S/C11H18/c1-3-11(2)8-7-9-5-4-6-10(9)11/h3,9-10H,1,4-8H2,2H3
InChIKeyRZXWRZOFZFDOHS-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.39
Rot. Bonds1

About 6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene

6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene (PubChem CID 140839402) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene.

Molecular Properties

Compound Name6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
PubChem CID140839402
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
SMILESC=CC1(C)CCC2CCCC21
InChIInChI=1S/C11H18/c1-3-11(2)8-7-9-5-4-6-10(9)11/h3,9-10H,1,4-8H2,2H3
InChIKeyRZXWRZOFZFDOHS-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene 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 6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene?
The IUPAC name of 6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene (CID 140839402) is 6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene.
What is the SMILES notation for 6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene?
The canonical SMILES for 6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene is C=CC1(C)CCC2CCCC21.
What is the InChIKey of 6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene?
The InChIKey is RZXWRZOFZFDOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-3-11(2)8-7-9-5-4-6-10(9)11/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene?
6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene has a molecular weight of 150.26 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 6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene is sourced from PubChem (CID 140839402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).