1-[(4E,6Z)-8-methylnona-4,6,8-trienyl]-4-propan-2-ylbenzene

C19H26 — CID 142308967

IUPAC1-[(4E,6Z)-8-methylnona-4,6,8-trienyl]-4-propan-2-ylbenzene
SMILESC=C(C)/C=C\C=C\CCCc1ccc(C(C)C)cc1
InChIInChI=1S/C19H26/c1-16(2)10-8-6-5-7-9-11-18-12-14-19(15-13-18)17(3)4/h5-6,8,10,12-15,17H,1,7,9,11H2,2-4H3/b6-5+,10-8-
InChIKeyLRVFLIVIBKYQLH-VOFQGDAYSA-N
MW254.42 g/mol
LogP5.82
Rot. Bonds7

About 1-[(4E,6Z)-8-methylnona-4,6,8-trienyl]-4-propan-2-ylbenzene

1-[(4E,6Z)-8-methylnona-4,6,8-trienyl]-4-propan-2-ylbenzene (PubChem CID 142308967) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[(4E,6Z)-8-methylnona-4,6,8-trienyl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[(4E,6Z)-8-methylnona-4,6,8-trienyl]-4-propan-2-ylbenzene
PubChem CID142308967
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name1-[(4E,6Z)-8-methylnona-4,6,8-trienyl]-4-propan-2-ylbenzene
SMILESC=C(C)/C=C\C=C\CCCc1ccc(C(C)C)cc1
InChIInChI=1S/C19H26/c1-16(2)10-8-6-5-7-9-11-18-12-14-19(15-13-18)17(3)4/h5-6,8,10,12-15,17H,1,7,9,11H2,2-4H3/b6-5+,10-8-
InChIKeyLRVFLIVIBKYQLH-VOFQGDAYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(4E,6Z)-8-methylnona-4,6,8-trienyl]-4-propan-2-ylbenzene 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-[(4E,6Z)-8-methylnona-4,6,8-trienyl]-4-propan-2-ylbenzene?
The IUPAC name of 1-[(4E,6Z)-8-methylnona-4,6,8-trienyl]-4-propan-2-ylbenzene (CID 142308967) is 1-[(4E,6Z)-8-methylnona-4,6,8-trienyl]-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[(4E,6Z)-8-methylnona-4,6,8-trienyl]-4-propan-2-ylbenzene?
The canonical SMILES for 1-[(4E,6Z)-8-methylnona-4,6,8-trienyl]-4-propan-2-ylbenzene is C=C(C)/C=C\C=C\CCCc1ccc(C(C)C)cc1.
What is the InChIKey of 1-[(4E,6Z)-8-methylnona-4,6,8-trienyl]-4-propan-2-ylbenzene?
The InChIKey is LRVFLIVIBKYQLH-VOFQGDAYSA-N. The full InChI is InChI=1S/C19H26/c1-16(2)10-8-6-5-7-9-11-18-12-14-19(15-13-18)17(3)4/h5-6,8,10,12-15,17H,1,7,9,11H2,2-4H3/b6-5+,10-8-.
What are the key properties of 1-[(4E,6Z)-8-methylnona-4,6,8-trienyl]-4-propan-2-ylbenzene?
1-[(4E,6Z)-8-methylnona-4,6,8-trienyl]-4-propan-2-ylbenzene has a molecular weight of 254.42 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E,6Z)-8-methylnona-4,6,8-trienyl]-4-propan-2-ylbenzene is sourced from PubChem (CID 142308967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).