3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene

C14H22 — CID 90700641

IUPAC3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene
SMILESCC1CCC2CCCCCC=CC=C12
InChIInChI=1S/C14H22/c1-12-10-11-13-8-6-4-2-3-5-7-9-14(12)13/h5,7,9,12-13H,2-4,6,8,10-11H2,1H3
InChIKeyUXTJIRRISWJBRO-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.48
Rot. Bonds

About 3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene

3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene (PubChem CID 90700641) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene.

Molecular Properties

Compound Name3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene
PubChem CID90700641
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene
SMILESCC1CCC2CCCCCC=CC=C12
InChIInChI=1S/C14H22/c1-12-10-11-13-8-6-4-2-3-5-7-9-14(12)13/h5,7,9,12-13H,2-4,6,8,10-11H2,1H3
InChIKeyUXTJIRRISWJBRO-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]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 3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene?
The IUPAC name of 3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene (CID 90700641) is 3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene.
What is the SMILES notation for 3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene?
The canonical SMILES for 3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene is CC1CCC2CCCCCC=CC=C12.
What is the InChIKey of 3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene?
The InChIKey is UXTJIRRISWJBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-12-10-11-13-8-6-4-2-3-5-7-9-14(12)13/h5,7,9,12-13H,2-4,6,8,10-11H2,1H3.
What are the key properties of 3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene?
3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene has a molecular weight of 190.33 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene is sourced from PubChem (CID 90700641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).