8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene

C14H20 — CID 123348757

IUPAC8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene
SMILESCC1CCCc2ccccc2CCC1
InChIInChI=1S/C14H20/c1-12-6-4-10-13-8-2-3-9-14(13)11-5-7-12/h2-3,8-9,12H,4-7,10-11H2,1H3
InChIKeyANWGCUCLITZNNT-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.98
Rot. Bonds

About 8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene

8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene (PubChem CID 123348757) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene.

Molecular Properties

Compound Name8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene
PubChem CID123348757
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene
SMILESCC1CCCc2ccccc2CCC1
InChIInChI=1S/C14H20/c1-12-6-4-10-13-8-2-3-9-14(13)11-5-7-12/h2-3,8-9,12H,4-7,10-11H2,1H3
InChIKeyANWGCUCLITZNNT-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]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 8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene?
The IUPAC name of 8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene (CID 123348757) is 8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene.
What is the SMILES notation for 8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene?
The canonical SMILES for 8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene is CC1CCCc2ccccc2CCC1.
What is the InChIKey of 8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene?
The InChIKey is ANWGCUCLITZNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-12-6-4-10-13-8-2-3-9-14(13)11-5-7-12/h2-3,8-9,12H,4-7,10-11H2,1H3.
What are the key properties of 8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene?
8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene has a molecular weight of 188.31 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene is sourced from PubChem (CID 123348757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).