[(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene

C18H26 — CID 156727063

IUPAC[(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene
SMILESC/C=C\C=C/CC(CCC(C)C)c1ccccc1
InChIInChI=1S/C18H26/c1-4-5-6-8-13-18(15-14-16(2)3)17-11-9-7-10-12-17/h4-12,16,18H,13-15H2,1-3H3/b5-4-,8-6-
InChIKeyXTCJCGMOGGIMPH-NADLECRISA-N
MW242.41 g/mol
LogP5.73
Rot. Bonds7

About [(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene

[(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene (PubChem CID 156727063) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is [(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene.

Molecular Properties

Compound Name[(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene
PubChem CID156727063
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name[(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene
SMILESC/C=C\C=C/CC(CCC(C)C)c1ccccc1
InChIInChI=1S/C18H26/c1-4-5-6-8-13-18(15-14-16(2)3)17-11-9-7-10-12-17/h4-12,16,18H,13-15H2,1-3H3/b5-4-,8-6-
InChIKeyXTCJCGMOGGIMPH-NADLECRISA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.73
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-methyl-4-phenyldeca-6,8-dienoic acid
CID 58782939
1-amino-1-phenylocta-4,6-dien-2-ol
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[(2Z,4Z)-hexa-2,4-dienyl]-methyl-diphenylphosphanium
CID 154980147
(E,3R)-3-phenylhept-5-enal
CID 102328928
(E)-7-methyl-3-phenyloct-5-en-1-ol
CID 102328934
[(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium
CID 13156160
(E)-5-phenylhept-2-enal
CID 122379804
5-(1-phenylhepta-3,5-dienyl)cyclohepta-1,3-diene
CID 91290814
(E,4S)-4-phenylhex-1-ene-1,6-diol
CID 134423361
[(Z)-1-ethyl-7-phenyloct-3-enyl]benzene
CID 58843288
(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030
[(E)-hept-5-en-2-yl]benzene
CID 22172140

Frequently Asked Questions

What is the IUPAC name of [(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene?
The IUPAC name of [(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene (CID 156727063) is [(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene.
What is the SMILES notation for [(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene?
The canonical SMILES for [(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene is C/C=C\C=C/CC(CCC(C)C)c1ccccc1.
What is the InChIKey of [(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene?
The InChIKey is XTCJCGMOGGIMPH-NADLECRISA-N. The full InChI is InChI=1S/C18H26/c1-4-5-6-8-13-18(15-14-16(2)3)17-11-9-7-10-12-17/h4-12,16,18H,13-15H2,1-3H3/b5-4-,8-6-.
What are the key properties of [(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene?
[(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene has a molecular weight of 242.41 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene is sourced from PubChem (CID 156727063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).