[(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene

C17H24 — CID 175723807

IUPAC[(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene
SMILESCC(C)=CCC[C@H](C)C/C=C\c1ccccc1
InChIInChI=1S/C17H24/c1-15(2)9-7-10-16(3)11-8-14-17-12-5-4-6-13-17/h4-6,8-9,12-14,16H,7,10-11H2,1-3H3/b14-8-/t16-/m0/s1
InChIKeyPSDSRUXQOPPEGQ-VCHSTOLQSA-N
MW228.38 g/mol
LogP5.47
Rot. Bonds6

About [(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene

[(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene (PubChem CID 175723807) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is [(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene.

Molecular Properties

Compound Name[(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene
PubChem CID175723807
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name[(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene
SMILESCC(C)=CCC[C@H](C)C/C=C\c1ccccc1
InChIInChI=1S/C17H24/c1-15(2)9-7-10-16(3)11-8-14-17-12-5-4-6-13-17/h4-6,8-9,12-14,16H,7,10-11H2,1-3H3/b14-8-/t16-/m0/s1
InChIKeyPSDSRUXQOPPEGQ-VCHSTOLQSA-N
XLogP5.47
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 ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzaldehyde;3,7-dimethyloct-6-enal
CID 87489443
[(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium
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1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine
CID 2845763
[(3S)-3,7-dimethyloct-6-enyl] (E)-3-phenylprop-2-enoate
CID 86310523
[(3S)-3,7-dimethyloct-6-enyl] (Z)-3-phenylprop-2-enoate
CID 97304810
(1E)-1-chloro-4,8-dimethylnona-1,7-diene
CID 138971565
4,5-dimethylhepta-1,5-dienylbenzene
CID 123392853
4-chloropent-1-enylbenzene
CID 66808272
[(1E,5R)-5,9-dimethyldeca-1,9-dienyl]benzene
CID 95240086
(E)-5-phenylpent-4-en-2-amine
CID 55254237
(2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene
CID 15276139
(2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene
CID 98562862

Frequently Asked Questions

What is the IUPAC name of [(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene?
The IUPAC name of [(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene (CID 175723807) is [(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene.
What is the SMILES notation for [(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene?
The canonical SMILES for [(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene is CC(C)=CCC[C@H](C)C/C=C\c1ccccc1.
What is the InChIKey of [(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene?
The InChIKey is PSDSRUXQOPPEGQ-VCHSTOLQSA-N. The full InChI is InChI=1S/C17H24/c1-15(2)9-7-10-16(3)11-8-14-17-12-5-4-6-13-17/h4-6,8-9,12-14,16H,7,10-11H2,1-3H3/b14-8-/t16-/m0/s1.
What are the key properties of [(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene?
[(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene has a molecular weight of 228.38 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene is sourced from PubChem (CID 175723807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).