1-[(1E)-3-methylhepta-1,3-dienyl]-4-propylbenzene

C17H24 — CID 142978047

IUPAC1-[(1E)-3-methylhepta-1,3-dienyl]-4-propylbenzene
SMILESCCCC=C(C)/C=C/c1ccc(CCC)cc1
InChIInChI=1S/C17H24/c1-4-6-8-15(3)9-10-17-13-11-16(7-5-2)12-14-17/h8-14H,4-7H2,1-3H3/b10-9+,15-8?
InChIKeyIRPVOKSIFCHYGH-JFVNZWERSA-N
MW228.38 g/mol
LogP5.40
Rot. Bonds6

About 1-[(1E)-3-methylhepta-1,3-dienyl]-4-propylbenzene

1-[(1E)-3-methylhepta-1,3-dienyl]-4-propylbenzene (PubChem CID 142978047) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[(1E)-3-methylhepta-1,3-dienyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[(1E)-3-methylhepta-1,3-dienyl]-4-propylbenzene
PubChem CID142978047
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1-[(1E)-3-methylhepta-1,3-dienyl]-4-propylbenzene
SMILESCCCC=C(C)/C=C/c1ccc(CCC)cc1
InChIInChI=1S/C17H24/c1-4-6-8-15(3)9-10-17-13-11-16(7-5-2)12-14-17/h8-14H,4-7H2,1-3H3/b10-9+,15-8?
InChIKeyIRPVOKSIFCHYGH-JFVNZWERSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-3-methylhepta-1,3-dienyl]-4-propylbenzene?
The IUPAC name of 1-[(1E)-3-methylhepta-1,3-dienyl]-4-propylbenzene (CID 142978047) is 1-[(1E)-3-methylhepta-1,3-dienyl]-4-propylbenzene.
What is the SMILES notation for 1-[(1E)-3-methylhepta-1,3-dienyl]-4-propylbenzene?
The canonical SMILES for 1-[(1E)-3-methylhepta-1,3-dienyl]-4-propylbenzene is CCCC=C(C)/C=C/c1ccc(CCC)cc1.
What is the InChIKey of 1-[(1E)-3-methylhepta-1,3-dienyl]-4-propylbenzene?
The InChIKey is IRPVOKSIFCHYGH-JFVNZWERSA-N. The full InChI is InChI=1S/C17H24/c1-4-6-8-15(3)9-10-17-13-11-16(7-5-2)12-14-17/h8-14H,4-7H2,1-3H3/b10-9+,15-8?.
What are the key properties of 1-[(1E)-3-methylhepta-1,3-dienyl]-4-propylbenzene?
1-[(1E)-3-methylhepta-1,3-dienyl]-4-propylbenzene has a molecular weight of 228.38 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-3-methylhepta-1,3-dienyl]-4-propylbenzene is sourced from PubChem (CID 142978047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).