1-[(E)-pentadec-2-enyl]naphthalene

C25H36 — CID 101307523

IUPAC1-[(E)-pentadec-2-enyl]naphthalene
SMILESCCCCCCCCCCCC/C=C/Cc1cccc2ccccc12
InChIInChI=1S/C25H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-20-17-21-24-19-15-16-22-25(23)24/h13-17,19-22H,2-12,18H2,1H3/b14-13+
InChIKeyWYOGXJJECXBVEJ-BUHFOSPRSA-N
MW336.56 g/mol
LogP8.25
Rot. Bonds13

About 1-[(E)-pentadec-2-enyl]naphthalene

1-[(E)-pentadec-2-enyl]naphthalene (PubChem CID 101307523) has the molecular formula C25H36 and a molecular weight of 336.56 g/mol. Its IUPAC name is 1-[(E)-pentadec-2-enyl]naphthalene.

Molecular Properties

Compound Name1-[(E)-pentadec-2-enyl]naphthalene
PubChem CID101307523
Molecular FormulaC25H36
Molecular Weight336.56 g/mol
Exact Mass336.28
IUPAC Name1-[(E)-pentadec-2-enyl]naphthalene
SMILESCCCCCCCCCCCC/C=C/Cc1cccc2ccccc12
InChIInChI=1S/C25H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-20-17-21-24-19-15-16-22-25(23)24/h13-17,19-22H,2-12,18H2,1H3/b14-13+
InChIKeyWYOGXJJECXBVEJ-BUHFOSPRSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 58.25
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

1-[(E)-heptadec-3-enyl]naphthalene
CID 101307582
1-[(E)-henicos-4-enyl]naphthalene
CID 101307724
1-[(E)-heptadec-10-enyl]naphthalene
CID 101307596
1-[(E)-docos-3-enyl]naphthalene
CID 101307762
1-[(E)-pentadec-7-enyl]naphthalene
CID 101307533
1-[(E)-icos-9-enyl]naphthalene
CID 101307696
1-[(E)-undec-6-enyl]naphthalene
CID 101304389
1-[(E)-octadec-13-enyl]naphthalene
CID 101307634
1-[(E)-tetradec-11-enyl]naphthalene
CID 101307515
1-tetradecylnaphthalene
CID 14402128
1-[(E)-dec-1-enyl]naphthalene
CID 11807631
1-[(E)-tetradec-1-enyl]naphthalene
CID 101307495

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pentadec-2-enyl]naphthalene?
The IUPAC name of 1-[(E)-pentadec-2-enyl]naphthalene (CID 101307523) is 1-[(E)-pentadec-2-enyl]naphthalene.
What is the SMILES notation for 1-[(E)-pentadec-2-enyl]naphthalene?
The canonical SMILES for 1-[(E)-pentadec-2-enyl]naphthalene is CCCCCCCCCCCC/C=C/Cc1cccc2ccccc12.
What is the InChIKey of 1-[(E)-pentadec-2-enyl]naphthalene?
The InChIKey is WYOGXJJECXBVEJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-20-17-21-24-19-15-16-22-25(23)24/h13-17,19-22H,2-12,18H2,1H3/b14-13+.
What are the key properties of 1-[(E)-pentadec-2-enyl]naphthalene?
1-[(E)-pentadec-2-enyl]naphthalene has a molecular weight of 336.56 g/mol, XLogP of 8.25, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pentadec-2-enyl]naphthalene is sourced from PubChem (CID 101307523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).