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

C27H40 — CID 101307582

IUPAC1-[(E)-heptadec-3-enyl]naphthalene
SMILESCCCCCCCCCCCCC/C=C/CCc1cccc2ccccc12
InChIInChI=1S/C27H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-22-19-23-26-21-17-18-24-27(25)26/h14-15,17-19,21-24H,2-13,16,20H2,1H3/b15-14+
InChIKeyPASWZDAHCVZACE-CCEZHUSRSA-N
MW364.62 g/mol
LogP9.03
Rot. Bonds15

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

1-[(E)-heptadec-3-enyl]naphthalene (PubChem CID 101307582) has the molecular formula C27H40 and a molecular weight of 364.62 g/mol. Its IUPAC name is 1-[(E)-heptadec-3-enyl]naphthalene.

Molecular Properties

Compound Name1-[(E)-heptadec-3-enyl]naphthalene
PubChem CID101307582
Molecular FormulaC27H40
Molecular Weight364.62 g/mol
Exact Mass364.31
IUPAC Name1-[(E)-heptadec-3-enyl]naphthalene
SMILESCCCCCCCCCCCCC/C=C/CCc1cccc2ccccc12
InChIInChI=1S/C27H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-22-19-23-26-21-17-18-24-27(25)26/h14-15,17-19,21-24H,2-13,16,20H2,1H3/b15-14+
InChIKeyPASWZDAHCVZACE-CCEZHUSRSA-N
XLogP9.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 59.03
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)-docos-3-enyl]naphthalene
CID 101307762
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)-heptadec-3-enyl]naphthalene?
The IUPAC name of 1-[(E)-heptadec-3-enyl]naphthalene (CID 101307582) is 1-[(E)-heptadec-3-enyl]naphthalene.
What is the SMILES notation for 1-[(E)-heptadec-3-enyl]naphthalene?
The canonical SMILES for 1-[(E)-heptadec-3-enyl]naphthalene is CCCCCCCCCCCCC/C=C/CCc1cccc2ccccc12.
What is the InChIKey of 1-[(E)-heptadec-3-enyl]naphthalene?
The InChIKey is PASWZDAHCVZACE-CCEZHUSRSA-N. The full InChI is InChI=1S/C27H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-22-19-23-26-21-17-18-24-27(25)26/h14-15,17-19,21-24H,2-13,16,20H2,1H3/b15-14+.
What are the key properties of 1-[(E)-heptadec-3-enyl]naphthalene?
1-[(E)-heptadec-3-enyl]naphthalene has a molecular weight of 364.62 g/mol, XLogP of 9.03, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-heptadec-3-enyl]naphthalene is sourced from PubChem (CID 101307582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).