1-(8-ethyltriacont-4-enyl)naphthalene

C42H70 — CID 173002190

IUPAC1-(8-ethyltriacont-4-enyl)naphthalene
SMILESCCCCCCCCCCCCCCCCCCCCCCC(CC)CCC=CCCCc1cccc2ccccc12
InChIInChI=1S/C42H70/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-32-39(4-2)33-27-24-22-25-28-34-40-36-31-37-41-35-29-30-38-42(40)41/h22,24,29-31,35-39H,3-21,23,25-28,32-34H2,1-2H3
InChIKeyPZBULDFCPLXAST-UHFFFAOYSA-N
MW575.02 g/mol
LogP14.74
Rot. Bonds29

About 1-(8-ethyltriacont-4-enyl)naphthalene

1-(8-ethyltriacont-4-enyl)naphthalene (PubChem CID 173002190) has the molecular formula C42H70 and a molecular weight of 575.02 g/mol. Its IUPAC name is 1-(8-ethyltriacont-4-enyl)naphthalene.

Molecular Properties

Compound Name1-(8-ethyltriacont-4-enyl)naphthalene
PubChem CID173002190
Molecular FormulaC42H70
Molecular Weight575.02 g/mol
Exact Mass574.55
IUPAC Name1-(8-ethyltriacont-4-enyl)naphthalene
SMILESCCCCCCCCCCCCCCCCCCCCCCC(CC)CCC=CCCCc1cccc2ccccc12
InChIInChI=1S/C42H70/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-32-39(4-2)33-27-24-22-25-28-34-40-36-31-37-41-35-29-30-38-42(40)41/h22,24,29-31,35-39H,3-21,23,25-28,32-34H2,1-2H3
InChIKeyPZBULDFCPLXAST-UHFFFAOYSA-N
XLogP14.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.02
LogP ≤ 514.74
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)-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)-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
potassium;hydride;1-octylnaphthalene
CID 173443599
1-tetradecylnaphthalene
CID 14402128
1-[(E)-tetradec-11-enyl]naphthalene
CID 101307515
1-[(E)-pentadec-2-enyl]naphthalene
CID 101307523

Frequently Asked Questions

What is the IUPAC name of 1-(8-ethyltriacont-4-enyl)naphthalene?
The IUPAC name of 1-(8-ethyltriacont-4-enyl)naphthalene (CID 173002190) is 1-(8-ethyltriacont-4-enyl)naphthalene.
What is the SMILES notation for 1-(8-ethyltriacont-4-enyl)naphthalene?
The canonical SMILES for 1-(8-ethyltriacont-4-enyl)naphthalene is CCCCCCCCCCCCCCCCCCCCCCC(CC)CCC=CCCCc1cccc2ccccc12.
What is the InChIKey of 1-(8-ethyltriacont-4-enyl)naphthalene?
The InChIKey is PZBULDFCPLXAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H70/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-32-39(4-2)33-27-24-22-25-28-34-40-36-31-37-41-35-29-30-38-42(40)41/h22,24,29-31,35-39H,3-21,23,25-28,32-34H2,1-2H3.
What are the key properties of 1-(8-ethyltriacont-4-enyl)naphthalene?
1-(8-ethyltriacont-4-enyl)naphthalene has a molecular weight of 575.02 g/mol, XLogP of 14.74, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-ethyltriacont-4-enyl)naphthalene is sourced from PubChem (CID 173002190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).