1-[5-(3,4-dimethylphenyl)pent-1-en-2-yl]-4-hept-1-en-2-yl-2-methylbenzene

C27H36 — CID 91498311

IUPAC1-[5-(3,4-dimethylphenyl)pent-1-en-2-yl]-4-hept-1-en-2-yl-2-methylbenzene
SMILESC=C(CCCCC)c1ccc(C(=C)CCCc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C27H36/c1-7-8-9-11-21(3)26-16-17-27(24(6)19-26)22(4)12-10-13-25-15-14-20(2)23(5)18-25/h14-19H,3-4,7-13H2,1-2,5-6H3
InChIKeyBDIXWJFQIZVWCY-UHFFFAOYSA-N
MW360.59 g/mol
LogP8.24
Rot. Bonds10

About 1-[5-(3,4-dimethylphenyl)pent-1-en-2-yl]-4-hept-1-en-2-yl-2-methylbenzene

1-[5-(3,4-dimethylphenyl)pent-1-en-2-yl]-4-hept-1-en-2-yl-2-methylbenzene (PubChem CID 91498311) has the molecular formula C27H36 and a molecular weight of 360.59 g/mol. Its IUPAC name is 1-[5-(3,4-dimethylphenyl)pent-1-en-2-yl]-4-hept-1-en-2-yl-2-methylbenzene.

Molecular Properties

Compound Name1-[5-(3,4-dimethylphenyl)pent-1-en-2-yl]-4-hept-1-en-2-yl-2-methylbenzene
PubChem CID91498311
Molecular FormulaC27H36
Molecular Weight360.59 g/mol
Exact Mass360.28
IUPAC Name1-[5-(3,4-dimethylphenyl)pent-1-en-2-yl]-4-hept-1-en-2-yl-2-methylbenzene
SMILESC=C(CCCCC)c1ccc(C(=C)CCCc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C27H36/c1-7-8-9-11-21(3)26-16-17-27(24(6)19-26)22(4)12-10-13-25-15-14-20(2)23(5)18-25/h14-19H,3-4,7-13H2,1-2,5-6H3
InChIKeyBDIXWJFQIZVWCY-UHFFFAOYSA-N
XLogP8.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.59
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-4-(4-methylidenedodecyl)benzene
CID 123685669
1,2-dimethyl-4-octylbenzene
CID 14044616
ethane;2-methyl-4-(6-methylhept-6-enyl)-1-octylbenzene
CID 142267466
4-but-1-en-2-yl-1-hexyl-2-methylbenzene
CID 142931159
1-hex-1-en-2-yl-2,4,5-trimethylbenzene
CID 142349579
1-butyl-3-hex-1-en-2-ylbenzene
CID 157480093
4-hexadecyl-2-methylbenzoic acid
CID 57019926
1-dec-1-en-2-yl-4-methylbenzene
CID 3805374
1-hex-1-en-2-yl-4-propylbenzene
CID 22166244
1-(3,4-dimethylphenyl)undecan-1-one
CID 114968936
1-(3,4-dimethylphenyl)tetradecan-1-one
CID 146006499
1-methyl-3-oct-1-en-2-ylbenzene
CID 102357647

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethylphenyl)pent-1-en-2-yl]-4-hept-1-en-2-yl-2-methylbenzene?
The IUPAC name of 1-[5-(3,4-dimethylphenyl)pent-1-en-2-yl]-4-hept-1-en-2-yl-2-methylbenzene (CID 91498311) is 1-[5-(3,4-dimethylphenyl)pent-1-en-2-yl]-4-hept-1-en-2-yl-2-methylbenzene.
What is the SMILES notation for 1-[5-(3,4-dimethylphenyl)pent-1-en-2-yl]-4-hept-1-en-2-yl-2-methylbenzene?
The canonical SMILES for 1-[5-(3,4-dimethylphenyl)pent-1-en-2-yl]-4-hept-1-en-2-yl-2-methylbenzene is C=C(CCCCC)c1ccc(C(=C)CCCc2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of 1-[5-(3,4-dimethylphenyl)pent-1-en-2-yl]-4-hept-1-en-2-yl-2-methylbenzene?
The InChIKey is BDIXWJFQIZVWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36/c1-7-8-9-11-21(3)26-16-17-27(24(6)19-26)22(4)12-10-13-25-15-14-20(2)23(5)18-25/h14-19H,3-4,7-13H2,1-2,5-6H3.
What are the key properties of 1-[5-(3,4-dimethylphenyl)pent-1-en-2-yl]-4-hept-1-en-2-yl-2-methylbenzene?
1-[5-(3,4-dimethylphenyl)pent-1-en-2-yl]-4-hept-1-en-2-yl-2-methylbenzene has a molecular weight of 360.59 g/mol, XLogP of 8.24, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethylphenyl)pent-1-en-2-yl]-4-hept-1-en-2-yl-2-methylbenzene is sourced from PubChem (CID 91498311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).