2-[(E)-pentadec-12-enyl]naphthalene

C25H36 — CID 101307544

IUPAC2-[(E)-pentadec-12-enyl]naphthalene
SMILESCC/C=C/CCCCCCCCCCCc1ccc2ccccc2c1
InChIInChI=1S/C25H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-20-21-24-18-15-16-19-25(24)22-23/h3-4,15-16,18-22H,2,5-14,17H2,1H3/b4-3+
InChIKeyJYYHOLXPTMPPNN-ONEGZZNKSA-N
MW336.56 g/mol
LogP8.25
Rot. Bonds13

About 2-[(E)-pentadec-12-enyl]naphthalene

2-[(E)-pentadec-12-enyl]naphthalene (PubChem CID 101307544) has the molecular formula C25H36 and a molecular weight of 336.56 g/mol. Its IUPAC name is 2-[(E)-pentadec-12-enyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-pentadec-12-enyl]naphthalene
PubChem CID101307544
Molecular FormulaC25H36
Molecular Weight336.56 g/mol
Exact Mass336.28
IUPAC Name2-[(E)-pentadec-12-enyl]naphthalene
SMILESCC/C=C/CCCCCCCCCCCc1ccc2ccccc2c1
InChIInChI=1S/C25H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-20-21-24-18-15-16-19-25(24)22-23/h3-4,15-16,18-22H,2,5-14,17H2,1H3/b4-3+
InChIKeyJYYHOLXPTMPPNN-ONEGZZNKSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-pentadec-12-enyl]naphthalene?
The IUPAC name of 2-[(E)-pentadec-12-enyl]naphthalene (CID 101307544) is 2-[(E)-pentadec-12-enyl]naphthalene.
What is the SMILES notation for 2-[(E)-pentadec-12-enyl]naphthalene?
The canonical SMILES for 2-[(E)-pentadec-12-enyl]naphthalene is CC/C=C/CCCCCCCCCCCc1ccc2ccccc2c1.
What is the InChIKey of 2-[(E)-pentadec-12-enyl]naphthalene?
The InChIKey is JYYHOLXPTMPPNN-ONEGZZNKSA-N. The full InChI is InChI=1S/C25H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-20-21-24-18-15-16-19-25(24)22-23/h3-4,15-16,18-22H,2,5-14,17H2,1H3/b4-3+.
What are the key properties of 2-[(E)-pentadec-12-enyl]naphthalene?
2-[(E)-pentadec-12-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 2-[(E)-pentadec-12-enyl]naphthalene is sourced from PubChem (CID 101307544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).