1-pentadecyl-2-[(E)-pent-1-enyl]benzene

C26H44 — CID 21273097

IUPAC1-pentadecyl-2-[(E)-pent-1-enyl]benzene
SMILESCCC/C=C/c1ccccc1CCCCCCCCCCCCCCC
InChIInChI=1S/C26H44/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-22-26-24-20-19-23-25(26)21-17-6-4-2/h17,19-21,23-24H,3-16,18,22H2,1-2H3/b21-17+
InChIKeyWNBBKILSJZCDBD-HEHNFIMWSA-N
MW356.64 g/mol
LogP9.13
Rot. Bonds17

About 1-pentadecyl-2-[(E)-pent-1-enyl]benzene

1-pentadecyl-2-[(E)-pent-1-enyl]benzene (PubChem CID 21273097) has the molecular formula C26H44 and a molecular weight of 356.64 g/mol. Its IUPAC name is 1-pentadecyl-2-[(E)-pent-1-enyl]benzene.

Molecular Properties

Compound Name1-pentadecyl-2-[(E)-pent-1-enyl]benzene
PubChem CID21273097
Molecular FormulaC26H44
Molecular Weight356.64 g/mol
Exact Mass356.34
IUPAC Name1-pentadecyl-2-[(E)-pent-1-enyl]benzene
SMILESCCC/C=C/c1ccccc1CCCCCCCCCCCCCCC
InChIInChI=1S/C26H44/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-22-26-24-20-19-23-25(26)21-17-6-4-2/h17,19-21,23-24H,3-16,18,22H2,1-2H3/b21-17+
InChIKeyWNBBKILSJZCDBD-HEHNFIMWSA-N
XLogP9.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 59.13
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

(E)-6-(2-nonylphenyl)hex-5-enoic acid
CID 21273106
1-octadec-9-enyl-2-(2-phenylethenyl)benzene
CID 91146060
1-nonyl-2-(2-phenylethenyl)benzene
CID 91593587
[2-[(Z)-dodec-1-enyl]phenyl]methanol
CID 124635447
3-[2-[(Z)-tridec-1-enyl]phenyl]propanoic acid
CID 70431836
(E)-3-(2-pentylphenyl)prop-2-enal
CID 22717371
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1-ethenyl-2-pentylbenzene
CID 22171756

Frequently Asked Questions

What is the IUPAC name of 1-pentadecyl-2-[(E)-pent-1-enyl]benzene?
The IUPAC name of 1-pentadecyl-2-[(E)-pent-1-enyl]benzene (CID 21273097) is 1-pentadecyl-2-[(E)-pent-1-enyl]benzene.
What is the SMILES notation for 1-pentadecyl-2-[(E)-pent-1-enyl]benzene?
The canonical SMILES for 1-pentadecyl-2-[(E)-pent-1-enyl]benzene is CCC/C=C/c1ccccc1CCCCCCCCCCCCCCC.
What is the InChIKey of 1-pentadecyl-2-[(E)-pent-1-enyl]benzene?
The InChIKey is WNBBKILSJZCDBD-HEHNFIMWSA-N. The full InChI is InChI=1S/C26H44/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-22-26-24-20-19-23-25(26)21-17-6-4-2/h17,19-21,23-24H,3-16,18,22H2,1-2H3/b21-17+.
What are the key properties of 1-pentadecyl-2-[(E)-pent-1-enyl]benzene?
1-pentadecyl-2-[(E)-pent-1-enyl]benzene has a molecular weight of 356.64 g/mol, XLogP of 9.13, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentadecyl-2-[(E)-pent-1-enyl]benzene is sourced from PubChem (CID 21273097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).