2-[(E)-hexadec-3-enyl]naphthalene

C26H38 — CID 101307554

IUPAC2-[(E)-hexadec-3-enyl]naphthalene
SMILESCCCCCCCCCCCC/C=C/CCc1ccc2ccccc2c1
InChIInChI=1S/C26H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-21-22-25-19-16-17-20-26(25)23-24/h13-14,16-17,19-23H,2-12,15,18H2,1H3/b14-13+
InChIKeyXDUTUCPYMGLBOD-BUHFOSPRSA-N
MW350.59 g/mol
LogP8.64
Rot. Bonds14

About 2-[(E)-hexadec-3-enyl]naphthalene

2-[(E)-hexadec-3-enyl]naphthalene (PubChem CID 101307554) has the molecular formula C26H38 and a molecular weight of 350.59 g/mol. Its IUPAC name is 2-[(E)-hexadec-3-enyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-hexadec-3-enyl]naphthalene
PubChem CID101307554
Molecular FormulaC26H38
Molecular Weight350.59 g/mol
Exact Mass350.30
IUPAC Name2-[(E)-hexadec-3-enyl]naphthalene
SMILESCCCCCCCCCCCC/C=C/CCc1ccc2ccccc2c1
InChIInChI=1S/C26H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-21-22-25-19-16-17-20-26(25)23-24/h13-14,16-17,19-23H,2-12,15,18H2,1H3/b14-13+
InChIKeyXDUTUCPYMGLBOD-BUHFOSPRSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 58.64
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

2-[(E)-henicos-13-enyl]naphthalene
CID 101307743
2-[(E)-docos-6-enyl]naphthalene
CID 101307769
2-[(E)-dodec-5-enyl]naphthalene
CID 101304407
2-[(E)-docos-17-enyl]naphthalene
CID 101307791
2-[(E)-pentadec-12-enyl]naphthalene
CID 101307544
ethane;2-hexylnaphthalene
CID 142191207
2-octylanthracene
CID 23131226
1-[(E)-dec-3-enyl]-4-methoxybenzene
CID 11299600
2-pentylnaphthalene;prop-1-ene
CID 173098363
2-[(E)-docos-1-enyl]naphthalene
CID 101307759
2-[(E)-dodec-1-enyl]naphthalene
CID 101304399
2-butyltetracene
CID 177478805

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hexadec-3-enyl]naphthalene?
The IUPAC name of 2-[(E)-hexadec-3-enyl]naphthalene (CID 101307554) is 2-[(E)-hexadec-3-enyl]naphthalene.
What is the SMILES notation for 2-[(E)-hexadec-3-enyl]naphthalene?
The canonical SMILES for 2-[(E)-hexadec-3-enyl]naphthalene is CCCCCCCCCCCC/C=C/CCc1ccc2ccccc2c1.
What is the InChIKey of 2-[(E)-hexadec-3-enyl]naphthalene?
The InChIKey is XDUTUCPYMGLBOD-BUHFOSPRSA-N. The full InChI is InChI=1S/C26H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-21-22-25-19-16-17-20-26(25)23-24/h13-14,16-17,19-23H,2-12,15,18H2,1H3/b14-13+.
What are the key properties of 2-[(E)-hexadec-3-enyl]naphthalene?
2-[(E)-hexadec-3-enyl]naphthalene has a molecular weight of 350.59 g/mol, XLogP of 8.64, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hexadec-3-enyl]naphthalene is sourced from PubChem (CID 101307554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).