6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene

C25H34O — CID 10807814

IUPAC6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene
SMILESCCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(C)cc1-2
InChIInChI=1S/C25H34O/c1-7-8-9-10-15-24(3,4)19-12-13-20-21-16-18(2)11-14-22(21)25(5,6)26-23(20)17-19/h11-14,16-17H,7-10,15H2,1-6H3
InChIKeyAYLSJCSPOZOCFK-UHFFFAOYSA-N
MW350.55 g/mol
LogP7.54
Rot. Bonds6

About 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene

6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene (PubChem CID 10807814) has the molecular formula C25H34O and a molecular weight of 350.55 g/mol. Its IUPAC name is 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene.

Molecular Properties

Compound Name6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene
PubChem CID10807814
Molecular FormulaC25H34O
Molecular Weight350.55 g/mol
Exact Mass350.26
IUPAC Name6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene
SMILESCCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(C)cc1-2
InChIInChI=1S/C25H34O/c1-7-8-9-10-15-24(3,4)19-12-13-20-21-16-18(2)11-14-22(21)25(5,6)26-23(20)17-19/h11-14,16-17H,7-10,15H2,1-6H3
InChIKeyAYLSJCSPOZOCFK-UHFFFAOYSA-N
XLogP7.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene 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 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene?
The IUPAC name of 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene (CID 10807814) is 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene.
What is the SMILES notation for 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene?
The canonical SMILES for 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene is CCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(C)cc1-2.
What is the InChIKey of 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene?
The InChIKey is AYLSJCSPOZOCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O/c1-7-8-9-10-15-24(3,4)19-12-13-20-21-16-18(2)11-14-22(21)25(5,6)26-23(20)17-19/h11-14,16-17H,7-10,15H2,1-6H3.
What are the key properties of 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene?
6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene has a molecular weight of 350.55 g/mol, XLogP of 7.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene is sourced from PubChem (CID 10807814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).