1-tetradecylnaphthalene

C24H36 — CID 14402128

IUPAC1-tetradecylnaphthalene
SMILESCCCCCCCCCCCCCCc1cccc2ccccc12
InChIInChI=1S/C24H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-19-16-20-23-18-14-15-21-24(22)23/h14-16,18-21H,2-13,17H2,1H3
InChIKeyQVGRUGAWUACWGZ-UHFFFAOYSA-N
MW324.55 g/mol
LogP8.08
Rot. Bonds13

About 1-tetradecylnaphthalene

1-tetradecylnaphthalene (PubChem CID 14402128) has the molecular formula C24H36 and a molecular weight of 324.55 g/mol. Its IUPAC name is 1-tetradecylnaphthalene.

Molecular Properties

Compound Name1-tetradecylnaphthalene
PubChem CID14402128
Molecular FormulaC24H36
Molecular Weight324.55 g/mol
Exact Mass324.28
IUPAC Name1-tetradecylnaphthalene
SMILESCCCCCCCCCCCCCCc1cccc2ccccc12
InChIInChI=1S/C24H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-19-16-20-23-18-14-15-21-24(22)23/h14-16,18-21H,2-13,17H2,1H3
InChIKeyQVGRUGAWUACWGZ-UHFFFAOYSA-N
XLogP8.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

potassium;hydride;1-octylnaphthalene
CID 173443599
1-butylnaphthalene;ethane
CID 142087052
1-nonylnaphthalene;sulfuric acid
CID 154996092
1-nonylnaphthalene;sulfuric acid
CID 172712573
1-[(E)-heptadec-10-enyl]naphthalene
CID 101307596
1-octadecylnaphthalene;sulfuric acid
CID 172709808
1-[(E)-pentadec-7-enyl]naphthalene
CID 101307533
1-[(E)-icos-9-enyl]naphthalene
CID 101307696
azane;1-butylnaphthalene;methane
CID 174691035
1-pentylnaphthalene;sulfuric acid
CID 172842201
sodium;hydride;1-nonylnaphthalene;sulfuric acid
CID 173181900
1-[(E)-undec-6-enyl]naphthalene
CID 101304389

Frequently Asked Questions

What is the IUPAC name of 1-tetradecylnaphthalene?
The IUPAC name of 1-tetradecylnaphthalene (CID 14402128) is 1-tetradecylnaphthalene.
What is the SMILES notation for 1-tetradecylnaphthalene?
The canonical SMILES for 1-tetradecylnaphthalene is CCCCCCCCCCCCCCc1cccc2ccccc12.
What is the InChIKey of 1-tetradecylnaphthalene?
The InChIKey is QVGRUGAWUACWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-19-16-20-23-18-14-15-21-24(22)23/h14-16,18-21H,2-13,17H2,1H3.
What are the key properties of 1-tetradecylnaphthalene?
1-tetradecylnaphthalene has a molecular weight of 324.55 g/mol, XLogP of 8.08, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetradecylnaphthalene is sourced from PubChem (CID 14402128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).