1-tert-butyl-4-(4,5-diethylcyclopenta-1,4-dien-1-yl)benzene

C19H26 — CID 12975325

IUPAC1-tert-butyl-4-(4,5-diethylcyclopenta-1,4-dien-1-yl)benzene
SMILESCCC1=C(CC)C(c2ccc(C(C)(C)C)cc2)=CC1
InChIInChI=1S/C19H26/c1-6-14-10-13-18(17(14)7-2)15-8-11-16(12-9-15)19(3,4)5/h8-9,11-13H,6-7,10H2,1-5H3
InChIKeyOGCTVCRLQCUAPO-UHFFFAOYSA-N
MW254.42 g/mol
LogP5.89
Rot. Bonds3

About 1-tert-butyl-4-(4,5-diethylcyclopenta-1,4-dien-1-yl)benzene

1-tert-butyl-4-(4,5-diethylcyclopenta-1,4-dien-1-yl)benzene (PubChem CID 12975325) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-tert-butyl-4-(4,5-diethylcyclopenta-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(4,5-diethylcyclopenta-1,4-dien-1-yl)benzene
PubChem CID12975325
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name1-tert-butyl-4-(4,5-diethylcyclopenta-1,4-dien-1-yl)benzene
SMILESCCC1=C(CC)C(c2ccc(C(C)(C)C)cc2)=CC1
InChIInChI=1S/C19H26/c1-6-14-10-13-18(17(14)7-2)15-8-11-16(12-9-15)19(3,4)5/h8-9,11-13H,6-7,10H2,1-5H3
InChIKeyOGCTVCRLQCUAPO-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-4-(4,5-diethylcyclopenta-1,4-dien-1-yl)benzene 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 1-tert-butyl-4-(4,5-diethylcyclopenta-1,4-dien-1-yl)benzene?
The IUPAC name of 1-tert-butyl-4-(4,5-diethylcyclopenta-1,4-dien-1-yl)benzene (CID 12975325) is 1-tert-butyl-4-(4,5-diethylcyclopenta-1,4-dien-1-yl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(4,5-diethylcyclopenta-1,4-dien-1-yl)benzene?
The canonical SMILES for 1-tert-butyl-4-(4,5-diethylcyclopenta-1,4-dien-1-yl)benzene is CCC1=C(CC)C(c2ccc(C(C)(C)C)cc2)=CC1.
What is the InChIKey of 1-tert-butyl-4-(4,5-diethylcyclopenta-1,4-dien-1-yl)benzene?
The InChIKey is OGCTVCRLQCUAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26/c1-6-14-10-13-18(17(14)7-2)15-8-11-16(12-9-15)19(3,4)5/h8-9,11-13H,6-7,10H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(4,5-diethylcyclopenta-1,4-dien-1-yl)benzene?
1-tert-butyl-4-(4,5-diethylcyclopenta-1,4-dien-1-yl)benzene has a molecular weight of 254.42 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4,5-diethylcyclopenta-1,4-dien-1-yl)benzene is sourced from PubChem (CID 12975325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).