2-butan-2-yl-4-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,3,5-trimethylbenzene

C19H28 — CID 144518773

IUPAC2-butan-2-yl-4-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,3,5-trimethylbenzene
SMILESC=C(C)/C(C)=C/c1c(C)cc(C)c(C(C)CC)c1C
InChIInChI=1S/C19H28/c1-9-13(4)19-16(7)10-15(6)18(17(19)8)11-14(5)12(2)3/h10-11,13H,2,9H2,1,3-8H3/b14-11+
InChIKeyHVOVZWHCTIMVEQ-SDNWHVSQSA-N
MW256.43 g/mol
LogP6.10
Rot. Bonds4

About 2-butan-2-yl-4-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,3,5-trimethylbenzene

2-butan-2-yl-4-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,3,5-trimethylbenzene (PubChem CID 144518773) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-butan-2-yl-4-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-butan-2-yl-4-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,3,5-trimethylbenzene
PubChem CID144518773
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name2-butan-2-yl-4-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,3,5-trimethylbenzene
SMILESC=C(C)/C(C)=C/c1c(C)cc(C)c(C(C)CC)c1C
InChIInChI=1S/C19H28/c1-9-13(4)19-16(7)10-15(6)18(17(19)8)11-14(5)12(2)3/h10-11,13H,2,9H2,1,3-8H3/b14-11+
InChIKeyHVOVZWHCTIMVEQ-SDNWHVSQSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-butan-2-yl-4-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,3,5-trimethylbenzene 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-butan-2-yl-4-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-butan-2-yl-4-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,3,5-trimethylbenzene (CID 144518773) is 2-butan-2-yl-4-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-butan-2-yl-4-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-butan-2-yl-4-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,3,5-trimethylbenzene is C=C(C)/C(C)=C/c1c(C)cc(C)c(C(C)CC)c1C.
What is the InChIKey of 2-butan-2-yl-4-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,3,5-trimethylbenzene?
The InChIKey is HVOVZWHCTIMVEQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H28/c1-9-13(4)19-16(7)10-15(6)18(17(19)8)11-14(5)12(2)3/h10-11,13H,2,9H2,1,3-8H3/b14-11+.
What are the key properties of 2-butan-2-yl-4-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,3,5-trimethylbenzene?
2-butan-2-yl-4-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,3,5-trimethylbenzene has a molecular weight of 256.43 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 144518773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).