1-methyl-4-(6-phenylundeca-4,10-dien-3-yl)benzene

C24H30 — CID 173200762

IUPAC1-methyl-4-(6-phenylundeca-4,10-dien-3-yl)benzene
SMILESC=CCCCC(C=CC(CC)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C24H30/c1-4-6-8-11-23(22-12-9-7-10-13-22)19-18-21(5-2)24-16-14-20(3)15-17-24/h4,7,9-10,12-19,21,23H,1,5-6,8,11H2,2-3H3
InChIKeyRTOUVSAVDSJABG-UHFFFAOYSA-N
MW318.50 g/mol
LogP7.18
Rot. Bonds9

About 1-methyl-4-(6-phenylundeca-4,10-dien-3-yl)benzene

1-methyl-4-(6-phenylundeca-4,10-dien-3-yl)benzene (PubChem CID 173200762) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 1-methyl-4-(6-phenylundeca-4,10-dien-3-yl)benzene.

Molecular Properties

Compound Name1-methyl-4-(6-phenylundeca-4,10-dien-3-yl)benzene
PubChem CID173200762
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name1-methyl-4-(6-phenylundeca-4,10-dien-3-yl)benzene
SMILESC=CCCCC(C=CC(CC)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C24H30/c1-4-6-8-11-23(22-12-9-7-10-13-22)19-18-21(5-2)24-16-14-20(3)15-17-24/h4,7,9-10,12-19,21,23H,1,5-6,8,11H2,2-3H3
InChIKeyRTOUVSAVDSJABG-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(E)-8-phenyldodec-6-en-5-yl]benzene
CID 14267465
hex-1-ene;toluene
CID 22480689
1-methyl-4-oct-1-en-3-ylbenzene
CID 11805787
1-(1-methoxyhex-5-enyl)-4-phenylbenzene
CID 163855883
1-bromohex-5-enylbenzene
CID 13296849
oct-2-en-4-ylbenzene
CID 73177891
(1-but-3-enyl-10-phenyldodec-5-enyl)benzene
CID 173200761
dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene
CID 158724514
1-(4-methylphenyl)sulfanylhept-6-en-2-ol
CID 66063998
undec-10-en-2-ylbenzene
CID 140694797
tridec-12-en-2-ylbenzene
CID 140694820
tetradec-13-en-7-ylbenzene
CID 140694824

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(6-phenylundeca-4,10-dien-3-yl)benzene?
The IUPAC name of 1-methyl-4-(6-phenylundeca-4,10-dien-3-yl)benzene (CID 173200762) is 1-methyl-4-(6-phenylundeca-4,10-dien-3-yl)benzene.
What is the SMILES notation for 1-methyl-4-(6-phenylundeca-4,10-dien-3-yl)benzene?
The canonical SMILES for 1-methyl-4-(6-phenylundeca-4,10-dien-3-yl)benzene is C=CCCCC(C=CC(CC)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 1-methyl-4-(6-phenylundeca-4,10-dien-3-yl)benzene?
The InChIKey is RTOUVSAVDSJABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30/c1-4-6-8-11-23(22-12-9-7-10-13-22)19-18-21(5-2)24-16-14-20(3)15-17-24/h4,7,9-10,12-19,21,23H,1,5-6,8,11H2,2-3H3.
What are the key properties of 1-methyl-4-(6-phenylundeca-4,10-dien-3-yl)benzene?
1-methyl-4-(6-phenylundeca-4,10-dien-3-yl)benzene has a molecular weight of 318.50 g/mol, XLogP of 7.18, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(6-phenylundeca-4,10-dien-3-yl)benzene is sourced from PubChem (CID 173200762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).