1-[(E)-henicos-4-enyl]naphthalene

C31H48 — CID 101307724

IUPAC1-[(E)-henicos-4-enyl]naphthalene
SMILESCCCCCCCCCCCCCCCC/C=C/CCCc1cccc2ccccc12
InChIInChI=1S/C31H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29-26-23-27-30-25-21-22-28-31(29)30/h17-18,21-23,25-28H,2-16,19-20,24H2,1H3/b18-17+
InChIKeyLODZRZIOLLRMPU-ISLYRVAYSA-N
MW420.73 g/mol
LogP10.59
Rot. Bonds19

About 1-[(E)-henicos-4-enyl]naphthalene

1-[(E)-henicos-4-enyl]naphthalene (PubChem CID 101307724) has the molecular formula C31H48 and a molecular weight of 420.73 g/mol. Its IUPAC name is 1-[(E)-henicos-4-enyl]naphthalene.

Molecular Properties

Compound Name1-[(E)-henicos-4-enyl]naphthalene
PubChem CID101307724
Molecular FormulaC31H48
Molecular Weight420.73 g/mol
Exact Mass420.38
IUPAC Name1-[(E)-henicos-4-enyl]naphthalene
SMILESCCCCCCCCCCCCCCCC/C=C/CCCc1cccc2ccccc12
InChIInChI=1S/C31H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29-26-23-27-30-25-21-22-28-31(29)30/h17-18,21-23,25-28H,2-16,19-20,24H2,1H3/b18-17+
InChIKeyLODZRZIOLLRMPU-ISLYRVAYSA-N
XLogP10.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.73
LogP ≤ 510.59
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'}

Analyze 1-[(E)-henicos-4-enyl]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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)-heptadec-3-enyl]naphthalene
CID 101307582
1-[(E)-undec-6-enyl]naphthalene
CID 101304389
1-[(E)-docos-3-enyl]naphthalene
CID 101307762
1-[(E)-octadec-13-enyl]naphthalene
CID 101307634
1-[(E)-tetradec-11-enyl]naphthalene
CID 101307515
1-[(E)-pentadec-2-enyl]naphthalene
CID 101307523
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)-henicos-4-enyl]naphthalene?
The IUPAC name of 1-[(E)-henicos-4-enyl]naphthalene (CID 101307724) is 1-[(E)-henicos-4-enyl]naphthalene.
What is the SMILES notation for 1-[(E)-henicos-4-enyl]naphthalene?
The canonical SMILES for 1-[(E)-henicos-4-enyl]naphthalene is CCCCCCCCCCCCCCCC/C=C/CCCc1cccc2ccccc12.
What is the InChIKey of 1-[(E)-henicos-4-enyl]naphthalene?
The InChIKey is LODZRZIOLLRMPU-ISLYRVAYSA-N. The full InChI is InChI=1S/C31H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29-26-23-27-30-25-21-22-28-31(29)30/h17-18,21-23,25-28H,2-16,19-20,24H2,1H3/b18-17+.
What are the key properties of 1-[(E)-henicos-4-enyl]naphthalene?
1-[(E)-henicos-4-enyl]naphthalene has a molecular weight of 420.73 g/mol, XLogP of 10.59, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-henicos-4-enyl]naphthalene is sourced from PubChem (CID 101307724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).