2-[2-(5,6-dimethyl-1H-inden-1-yl)propan-2-yl]-1,4,5,6,7,8-hexahydroazulene

C24H30 — CID 54445192

IUPAC2-[2-(5,6-dimethyl-1H-inden-1-yl)propan-2-yl]-1,4,5,6,7,8-hexahydroazulene
SMILESCc1cc2c(cc1C)C(C(C)(C)C1=CC3=C(CCCCC3)C1)C=C2
InChIInChI=1S/C24H30/c1-16-12-20-10-11-23(22(20)13-17(16)2)24(3,4)21-14-18-8-6-5-7-9-19(18)15-21/h10-14,23H,5-9,15H2,1-4H3
InChIKeyWQZJORSHMPGNDZ-UHFFFAOYSA-N
MW318.50 g/mol
LogP7.03
Rot. Bonds2

About 2-[2-(5,6-dimethyl-1H-inden-1-yl)propan-2-yl]-1,4,5,6,7,8-hexahydroazulene

2-[2-(5,6-dimethyl-1H-inden-1-yl)propan-2-yl]-1,4,5,6,7,8-hexahydroazulene (PubChem CID 54445192) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 2-[2-(5,6-dimethyl-1H-inden-1-yl)propan-2-yl]-1,4,5,6,7,8-hexahydroazulene.

Molecular Properties

Compound Name2-[2-(5,6-dimethyl-1H-inden-1-yl)propan-2-yl]-1,4,5,6,7,8-hexahydroazulene
PubChem CID54445192
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name2-[2-(5,6-dimethyl-1H-inden-1-yl)propan-2-yl]-1,4,5,6,7,8-hexahydroazulene
SMILESCc1cc2c(cc1C)C(C(C)(C)C1=CC3=C(CCCCC3)C1)C=C2
InChIInChI=1S/C24H30/c1-16-12-20-10-11-23(22(20)13-17(16)2)24(3,4)21-14-18-8-6-5-7-9-19(18)15-21/h10-14,23H,5-9,15H2,1-4H3
InChIKeyWQZJORSHMPGNDZ-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[2-(5,6-dimethyl-1H-inden-1-yl)propan-2-yl]-1,4,5,6,7,8-hexahydroazulene 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 2-[2-(5,6-dimethyl-1H-inden-1-yl)propan-2-yl]-1,4,5,6,7,8-hexahydroazulene?
The IUPAC name of 2-[2-(5,6-dimethyl-1H-inden-1-yl)propan-2-yl]-1,4,5,6,7,8-hexahydroazulene (CID 54445192) is 2-[2-(5,6-dimethyl-1H-inden-1-yl)propan-2-yl]-1,4,5,6,7,8-hexahydroazulene.
What is the SMILES notation for 2-[2-(5,6-dimethyl-1H-inden-1-yl)propan-2-yl]-1,4,5,6,7,8-hexahydroazulene?
The canonical SMILES for 2-[2-(5,6-dimethyl-1H-inden-1-yl)propan-2-yl]-1,4,5,6,7,8-hexahydroazulene is Cc1cc2c(cc1C)C(C(C)(C)C1=CC3=C(CCCCC3)C1)C=C2.
What is the InChIKey of 2-[2-(5,6-dimethyl-1H-inden-1-yl)propan-2-yl]-1,4,5,6,7,8-hexahydroazulene?
The InChIKey is WQZJORSHMPGNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30/c1-16-12-20-10-11-23(22(20)13-17(16)2)24(3,4)21-14-18-8-6-5-7-9-19(18)15-21/h10-14,23H,5-9,15H2,1-4H3.
What are the key properties of 2-[2-(5,6-dimethyl-1H-inden-1-yl)propan-2-yl]-1,4,5,6,7,8-hexahydroazulene?
2-[2-(5,6-dimethyl-1H-inden-1-yl)propan-2-yl]-1,4,5,6,7,8-hexahydroazulene has a molecular weight of 318.50 g/mol, XLogP of 7.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6-dimethyl-1H-inden-1-yl)propan-2-yl]-1,4,5,6,7,8-hexahydroazulene is sourced from PubChem (CID 54445192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).