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

C11H20 — CID 549132

IUPAC2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulene
SMILESC1CCCC2CCCC2CC1
InChIInChI=1S/C11H20/c1-2-4-7-11-9-5-8-10(11)6-3-1/h10-11H,1-9H2
InChIKeyRMSRGMASEXOIOU-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.76
Rot. Bonds

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

2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulene (PubChem CID 549132) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulene.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulene
PubChem CID549132
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulene
SMILESC1CCCC2CCCC2CC1
InChIInChI=1S/C11H20/c1-2-4-7-11-9-5-8-10(11)6-3-1/h10-11H,1-9H2
InChIKeyRMSRGMASEXOIOU-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 2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]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 2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulene?
The IUPAC name of 2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulene (CID 549132) is 2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulene.
What is the SMILES notation for 2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulene?
The canonical SMILES for 2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulene is C1CCCC2CCCC2CC1.
What is the InChIKey of 2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulene?
The InChIKey is RMSRGMASEXOIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-2-4-7-11-9-5-8-10(11)6-3-1/h10-11H,1-9H2.
What are the key properties of 2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulene?
2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]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 2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulene is sourced from PubChem (CID 549132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).