1-[(E)-docos-3-enyl]naphthalene

C32H50 — CID 101307762

IUPAC1-[(E)-docos-3-enyl]naphthalene
SMILESCCCCCCCCCCCCCCCCCC/C=C/CCc1cccc2ccccc12
InChIInChI=1S/C32H50/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-30-27-24-28-31-26-22-23-29-32(30)31/h19-20,22-24,26-29H,2-18,21,25H2,1H3/b20-19+
InChIKeyJRZOUSDNRLRNEH-FMQUCBEESA-N
MW434.75 g/mol
LogP10.98
Rot. Bonds20

About 1-[(E)-docos-3-enyl]naphthalene

1-[(E)-docos-3-enyl]naphthalene (PubChem CID 101307762) has the molecular formula C32H50 and a molecular weight of 434.75 g/mol. Its IUPAC name is 1-[(E)-docos-3-enyl]naphthalene.

Molecular Properties

Compound Name1-[(E)-docos-3-enyl]naphthalene
PubChem CID101307762
Molecular FormulaC32H50
Molecular Weight434.75 g/mol
Exact Mass434.39
IUPAC Name1-[(E)-docos-3-enyl]naphthalene
SMILESCCCCCCCCCCCCCCCCCC/C=C/CCc1cccc2ccccc12
InChIInChI=1S/C32H50/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-30-27-24-28-31-26-22-23-29-32(30)31/h19-20,22-24,26-29H,2-18,21,25H2,1H3/b20-19+
InChIKeyJRZOUSDNRLRNEH-FMQUCBEESA-N
XLogP10.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.75
LogP ≤ 510.98
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)-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)-pentadec-2-enyl]naphthalene
CID 101307523
1-[(E)-tetradec-11-enyl]naphthalene
CID 101307515
1-tetradecylnaphthalene
CID 14402128
1-(8-ethyltriacont-4-enyl)naphthalene
CID 173002190
potassium;hydride;1-octylnaphthalene
CID 173443599

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-docos-3-enyl]naphthalene?
The IUPAC name of 1-[(E)-docos-3-enyl]naphthalene (CID 101307762) is 1-[(E)-docos-3-enyl]naphthalene.
What is the SMILES notation for 1-[(E)-docos-3-enyl]naphthalene?
The canonical SMILES for 1-[(E)-docos-3-enyl]naphthalene is CCCCCCCCCCCCCCCCCC/C=C/CCc1cccc2ccccc12.
What is the InChIKey of 1-[(E)-docos-3-enyl]naphthalene?
The InChIKey is JRZOUSDNRLRNEH-FMQUCBEESA-N. The full InChI is InChI=1S/C32H50/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-30-27-24-28-31-26-22-23-29-32(30)31/h19-20,22-24,26-29H,2-18,21,25H2,1H3/b20-19+.
What are the key properties of 1-[(E)-docos-3-enyl]naphthalene?
1-[(E)-docos-3-enyl]naphthalene has a molecular weight of 434.75 g/mol, XLogP of 10.98, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-docos-3-enyl]naphthalene is sourced from PubChem (CID 101307762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).