1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene

C19H26 — CID 168937681

IUPAC1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene
SMILESC/C=C\C=C(/C=C(\C)CC)c1cccc(C(C)C)c1
InChIInChI=1S/C19H26/c1-6-8-10-18(13-16(5)7-2)19-12-9-11-17(14-19)15(3)4/h6,8-15H,7H2,1-5H3/b8-6-,16-13+,18-10+
InChIKeyYTSIYDATKDLPKH-QGFRGXIGSA-N
MW254.42 g/mol
LogP6.13
Rot. Bonds5

About 1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene

1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene (PubChem CID 168937681) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene
PubChem CID168937681
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene
SMILESC/C=C\C=C(/C=C(\C)CC)c1cccc(C(C)C)c1
InChIInChI=1S/C19H26/c1-6-8-10-18(13-16(5)7-2)19-12-9-11-17(14-19)15(3)4/h6,8-15H,7H2,1-5H3/b8-6-,16-13+,18-10+
InChIKeyYTSIYDATKDLPKH-QGFRGXIGSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylbut-1-enyl-bis(3-propan-2-ylphenyl)borane
CID 67927804
5-methyl-2-(3-propan-2-ylphenyl)hex-2-enal
CID 163825887
N-methyl-1-(3-propan-2-ylphenyl)ethanimine
CID 59110491
(E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine
CID 23568826
ethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene
CID 142101602
1-hex-1-en-2-yl-3-propan-2-ylbenzene
CID 160544423
CID 23527697
CID 23527697
1-bromo-3-[(2E,4Z)-hexa-2,4-dien-2-yl]benzene
CID 137396566
2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide
CID 66768595
2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one
CID 146007205
4-methylocta-4,6-dien-3-ylbenzene
CID 123891099
1-[3-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]phenyl]-3-[3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]phenyl]-5-phenylbenzene
CID 143388720

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene?
The IUPAC name of 1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene (CID 168937681) is 1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene.
What is the SMILES notation for 1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene?
The canonical SMILES for 1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene is C/C=C\C=C(/C=C(\C)CC)c1cccc(C(C)C)c1.
What is the InChIKey of 1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene?
The InChIKey is YTSIYDATKDLPKH-QGFRGXIGSA-N. The full InChI is InChI=1S/C19H26/c1-6-8-10-18(13-16(5)7-2)19-12-9-11-17(14-19)15(3)4/h6,8-15H,7H2,1-5H3/b8-6-,16-13+,18-10+.
What are the key properties of 1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene?
1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene has a molecular weight of 254.42 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene is sourced from PubChem (CID 168937681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).