1-[(E)-icos-9-enyl]naphthalene

C30H46 — CID 101307696

IUPAC1-[(E)-icos-9-enyl]naphthalene
SMILESCCCCCCCCCC/C=C/CCCCCCCCc1cccc2ccccc12
InChIInChI=1S/C30H46/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-25-22-26-29-24-20-21-27-30(28)29/h11-12,20-22,24-27H,2-10,13-19,23H2,1H3/b12-11+
InChIKeyROTZQXLHYSXQSM-VAWYXSNFSA-N
MW406.70 g/mol
LogP10.20
Rot. Bonds18

About 1-[(E)-icos-9-enyl]naphthalene

1-[(E)-icos-9-enyl]naphthalene (PubChem CID 101307696) has the molecular formula C30H46 and a molecular weight of 406.70 g/mol. Its IUPAC name is 1-[(E)-icos-9-enyl]naphthalene.

Molecular Properties

Compound Name1-[(E)-icos-9-enyl]naphthalene
PubChem CID101307696
Molecular FormulaC30H46
Molecular Weight406.70 g/mol
Exact Mass406.36
IUPAC Name1-[(E)-icos-9-enyl]naphthalene
SMILESCCCCCCCCCC/C=C/CCCCCCCCc1cccc2ccccc12
InChIInChI=1S/C30H46/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-25-22-26-29-24-20-21-27-30(28)29/h11-12,20-22,24-27H,2-10,13-19,23H2,1H3/b12-11+
InChIKeyROTZQXLHYSXQSM-VAWYXSNFSA-N
XLogP10.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 510.20
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)-heptadec-10-enyl]naphthalene
CID 101307596
1-[(E)-pentadec-7-enyl]naphthalene
CID 101307533
1-[(E)-henicos-4-enyl]naphthalene
CID 101307724
1-[(E)-undec-6-enyl]naphthalene
CID 101304389
1-[(E)-octadec-13-enyl]naphthalene
CID 101307634
1-[(E)-heptadec-3-enyl]naphthalene
CID 101307582
1-[(E)-docos-3-enyl]naphthalene
CID 101307762
1-[(E)-tetradec-11-enyl]naphthalene
CID 101307515
1-tetradecylnaphthalene
CID 14402128
1-[(E)-pentadec-2-enyl]naphthalene
CID 101307523
potassium;hydride;1-octylnaphthalene
CID 173443599
1-[(E)-henicos-19-enyl]naphthalene
CID 101307754

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-icos-9-enyl]naphthalene?
The IUPAC name of 1-[(E)-icos-9-enyl]naphthalene (CID 101307696) is 1-[(E)-icos-9-enyl]naphthalene.
What is the SMILES notation for 1-[(E)-icos-9-enyl]naphthalene?
The canonical SMILES for 1-[(E)-icos-9-enyl]naphthalene is CCCCCCCCCC/C=C/CCCCCCCCc1cccc2ccccc12.
What is the InChIKey of 1-[(E)-icos-9-enyl]naphthalene?
The InChIKey is ROTZQXLHYSXQSM-VAWYXSNFSA-N. The full InChI is InChI=1S/C30H46/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-25-22-26-29-24-20-21-27-30(28)29/h11-12,20-22,24-27H,2-10,13-19,23H2,1H3/b12-11+.
What are the key properties of 1-[(E)-icos-9-enyl]naphthalene?
1-[(E)-icos-9-enyl]naphthalene has a molecular weight of 406.70 g/mol, XLogP of 10.20, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-icos-9-enyl]naphthalene is sourced from PubChem (CID 101307696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).