3-methyl-6,7,8,9,10,11-hexahydro-5H-cycloocta[a]indene

C16H20 — CID 53360534

IUPAC3-methyl-6,7,8,9,10,11-hexahydro-5H-cycloocta[a]indene
SMILESCc1ccc2c(c1)C1=C(CCCCCC1)C2
InChIInChI=1S/C16H20/c1-12-8-9-14-11-13-6-4-2-3-5-7-15(13)16(14)10-12/h8-10H,2-7,11H2,1H3
InChIKeyUPHDXKQHLNUFFL-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.66
Rot. Bonds

About 3-methyl-6,7,8,9,10,11-hexahydro-5H-cycloocta[a]indene

3-methyl-6,7,8,9,10,11-hexahydro-5H-cycloocta[a]indene (PubChem CID 53360534) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-methyl-6,7,8,9,10,11-hexahydro-5H-cycloocta[a]indene.

Molecular Properties

Compound Name3-methyl-6,7,8,9,10,11-hexahydro-5H-cycloocta[a]indene
PubChem CID53360534
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name3-methyl-6,7,8,9,10,11-hexahydro-5H-cycloocta[a]indene
SMILESCc1ccc2c(c1)C1=C(CCCCCC1)C2
InChIInChI=1S/C16H20/c1-12-8-9-14-11-13-6-4-2-3-5-7-15(13)16(14)10-12/h8-10H,2-7,11H2,1H3
InChIKeyUPHDXKQHLNUFFL-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-methyl-6,7,8,9,10,11-hexahydro-5H-cycloocta[a]indene 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-6,7,8,9,10,11-hexahydro-5H-cycloocta[a]indene?
The IUPAC name of 3-methyl-6,7,8,9,10,11-hexahydro-5H-cycloocta[a]indene (CID 53360534) is 3-methyl-6,7,8,9,10,11-hexahydro-5H-cycloocta[a]indene.
What is the SMILES notation for 3-methyl-6,7,8,9,10,11-hexahydro-5H-cycloocta[a]indene?
The canonical SMILES for 3-methyl-6,7,8,9,10,11-hexahydro-5H-cycloocta[a]indene is Cc1ccc2c(c1)C1=C(CCCCCC1)C2.
What is the InChIKey of 3-methyl-6,7,8,9,10,11-hexahydro-5H-cycloocta[a]indene?
The InChIKey is UPHDXKQHLNUFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-12-8-9-14-11-13-6-4-2-3-5-7-15(13)16(14)10-12/h8-10H,2-7,11H2,1H3.
What are the key properties of 3-methyl-6,7,8,9,10,11-hexahydro-5H-cycloocta[a]indene?
3-methyl-6,7,8,9,10,11-hexahydro-5H-cycloocta[a]indene has a molecular weight of 212.34 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6,7,8,9,10,11-hexahydro-5H-cycloocta[a]indene is sourced from PubChem (CID 53360534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).