6,10,10-trimethyl-6H-benzo[a]azulene

C17H18 — CID 142402949

IUPAC6,10,10-trimethyl-6H-benzo[a]azulene
SMILESCC1C=CC=C2C(=C1)c1ccccc1C2(C)C
InChIInChI=1S/C17H18/c1-12-7-6-10-16-14(11-12)13-8-4-5-9-15(13)17(16,2)3/h4-12H,1-3H3
InChIKeyREDBWFDKASFAIU-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.49
Rot. Bonds

About 6,10,10-trimethyl-6H-benzo[a]azulene

6,10,10-trimethyl-6H-benzo[a]azulene (PubChem CID 142402949) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 6,10,10-trimethyl-6H-benzo[a]azulene.

Molecular Properties

Compound Name6,10,10-trimethyl-6H-benzo[a]azulene
PubChem CID142402949
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name6,10,10-trimethyl-6H-benzo[a]azulene
SMILESCC1C=CC=C2C(=C1)c1ccccc1C2(C)C
InChIInChI=1S/C17H18/c1-12-7-6-10-16-14(11-12)13-8-4-5-9-15(13)17(16,2)3/h4-12H,1-3H3
InChIKeyREDBWFDKASFAIU-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6,10,10-trimethyl-6H-benzo[a]azulene 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 6,10,10-trimethyl-6H-benzo[a]azulene?
The IUPAC name of 6,10,10-trimethyl-6H-benzo[a]azulene (CID 142402949) is 6,10,10-trimethyl-6H-benzo[a]azulene.
What is the SMILES notation for 6,10,10-trimethyl-6H-benzo[a]azulene?
The canonical SMILES for 6,10,10-trimethyl-6H-benzo[a]azulene is CC1C=CC=C2C(=C1)c1ccccc1C2(C)C.
What is the InChIKey of 6,10,10-trimethyl-6H-benzo[a]azulene?
The InChIKey is REDBWFDKASFAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18/c1-12-7-6-10-16-14(11-12)13-8-4-5-9-15(13)17(16,2)3/h4-12H,1-3H3.
What are the key properties of 6,10,10-trimethyl-6H-benzo[a]azulene?
6,10,10-trimethyl-6H-benzo[a]azulene has a molecular weight of 222.33 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,10-trimethyl-6H-benzo[a]azulene is sourced from PubChem (CID 142402949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).