2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene

C11H20 — CID 524793

IUPAC2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
SMILESC1CCC2CCCCC2CC1
InChIInChI=1S/C11H20/c1-2-6-10-8-4-5-9-11(10)7-3-1/h10-11H,1-9H2
InChIKeyGBCQLGDTLMHVHU-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.76
Rot. Bonds

About 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene

2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene (PubChem CID 524793) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
PubChem CID524793
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
SMILESC1CCC2CCCCC2CC1
InChIInChI=1S/C11H20/c1-2-6-10-8-4-5-9-11(10)7-3-1/h10-11H,1-9H2
InChIKeyGBCQLGDTLMHVHU-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene 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 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene?
The IUPAC name of 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene (CID 524793) is 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene.
What is the SMILES notation for 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene?
The canonical SMILES for 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene is C1CCC2CCCCC2CC1.
What is the InChIKey of 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene?
The InChIKey is GBCQLGDTLMHVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-2-6-10-8-4-5-9-11(10)7-3-1/h10-11H,1-9H2.
What are the key properties of 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene?
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene has a molecular weight of 152.28 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene is sourced from PubChem (CID 524793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).