1-[(E)-undec-6-enyl]naphthalene

C21H28 — CID 101304389

IUPAC1-[(E)-undec-6-enyl]naphthalene
SMILESCCCC/C=C/CCCCCc1cccc2ccccc12
InChIInChI=1S/C21H28/c1-2-3-4-5-6-7-8-9-10-14-19-16-13-17-20-15-11-12-18-21(19)20/h5-6,11-13,15-18H,2-4,7-10,14H2,1H3/b6-5+
InChIKeyRZLACEGGALQIOZ-AATRIKPKSA-N
MW280.45 g/mol
LogP6.69
Rot. Bonds9

About 1-[(E)-undec-6-enyl]naphthalene

1-[(E)-undec-6-enyl]naphthalene (PubChem CID 101304389) has the molecular formula C21H28 and a molecular weight of 280.45 g/mol. Its IUPAC name is 1-[(E)-undec-6-enyl]naphthalene.

Molecular Properties

Compound Name1-[(E)-undec-6-enyl]naphthalene
PubChem CID101304389
Molecular FormulaC21H28
Molecular Weight280.45 g/mol
Exact Mass280.22
IUPAC Name1-[(E)-undec-6-enyl]naphthalene
SMILESCCCC/C=C/CCCCCc1cccc2ccccc12
InChIInChI=1S/C21H28/c1-2-3-4-5-6-7-8-9-10-14-19-16-13-17-20-15-11-12-18-21(19)20/h5-6,11-13,15-18H,2-4,7-10,14H2,1H3/b6-5+
InChIKeyRZLACEGGALQIOZ-AATRIKPKSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 56.69
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)-octadec-13-enyl]naphthalene
CID 101307634
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)-henicos-4-enyl]naphthalene
CID 101307724
1-[(E)-tetradec-11-enyl]naphthalene
CID 101307515
1-[(E)-heptadec-3-enyl]naphthalene
CID 101307582
1-[(E)-docos-3-enyl]naphthalene
CID 101307762
1-tetradecylnaphthalene
CID 14402128
1-[(E)-henicos-19-enyl]naphthalene
CID 101307754
1-[(E)-pentadec-2-enyl]naphthalene
CID 101307523
potassium;hydride;1-octylnaphthalene
CID 173443599

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-undec-6-enyl]naphthalene?
The IUPAC name of 1-[(E)-undec-6-enyl]naphthalene (CID 101304389) is 1-[(E)-undec-6-enyl]naphthalene.
What is the SMILES notation for 1-[(E)-undec-6-enyl]naphthalene?
The canonical SMILES for 1-[(E)-undec-6-enyl]naphthalene is CCCC/C=C/CCCCCc1cccc2ccccc12.
What is the InChIKey of 1-[(E)-undec-6-enyl]naphthalene?
The InChIKey is RZLACEGGALQIOZ-AATRIKPKSA-N. The full InChI is InChI=1S/C21H28/c1-2-3-4-5-6-7-8-9-10-14-19-16-13-17-20-15-11-12-18-21(19)20/h5-6,11-13,15-18H,2-4,7-10,14H2,1H3/b6-5+.
What are the key properties of 1-[(E)-undec-6-enyl]naphthalene?
1-[(E)-undec-6-enyl]naphthalene has a molecular weight of 280.45 g/mol, XLogP of 6.69, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-undec-6-enyl]naphthalene is sourced from PubChem (CID 101304389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).