2-[(E)-docos-6-enyl]naphthalene

C32H50 — CID 101307769

IUPAC2-[(E)-docos-6-enyl]naphthalene
SMILESCCCCCCCCCCCCCCC/C=C/CCCCCc1ccc2ccccc2c1
InChIInChI=1S/C32H50/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-30-27-28-31-25-22-23-26-32(31)29-30/h16-17,22-23,25-29H,2-15,18-21,24H2,1H3/b17-16+
InChIKeyMEYRYPRZKOSUIM-WUKNDPDISA-N
MW434.75 g/mol
LogP10.98
Rot. Bonds20

About 2-[(E)-docos-6-enyl]naphthalene

2-[(E)-docos-6-enyl]naphthalene (PubChem CID 101307769) has the molecular formula C32H50 and a molecular weight of 434.75 g/mol. Its IUPAC name is 2-[(E)-docos-6-enyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-docos-6-enyl]naphthalene
PubChem CID101307769
Molecular FormulaC32H50
Molecular Weight434.75 g/mol
Exact Mass434.39
IUPAC Name2-[(E)-docos-6-enyl]naphthalene
SMILESCCCCCCCCCCCCCCC/C=C/CCCCCc1ccc2ccccc2c1
InChIInChI=1S/C32H50/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-30-27-28-31-25-22-23-26-32(31)29-30/h16-17,22-23,25-29H,2-15,18-21,24H2,1H3/b17-16+
InChIKeyMEYRYPRZKOSUIM-WUKNDPDISA-N
XLogP10.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.75
LogP ≤ 510.98
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

2-[(E)-henicos-13-enyl]naphthalene
CID 101307743
2-[(E)-dodec-5-enyl]naphthalene
CID 101304407
2-[(E)-docos-17-enyl]naphthalene
CID 101307791
2-[(E)-hexadec-3-enyl]naphthalene
CID 101307554
2-[(E)-pentadec-12-enyl]naphthalene
CID 101307544
ethane;2-hexylnaphthalene
CID 142191207
2-octylanthracene
CID 23131226
2-pentylnaphthalene;prop-1-ene
CID 173098363
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
nonadec-10-enylbenzene
CID 54264053
[(Z)-heptadec-10-enyl]benzene
CID 175397737
2-dodec-11-enylnaphthalene
CID 101307470

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-docos-6-enyl]naphthalene?
The IUPAC name of 2-[(E)-docos-6-enyl]naphthalene (CID 101307769) is 2-[(E)-docos-6-enyl]naphthalene.
What is the SMILES notation for 2-[(E)-docos-6-enyl]naphthalene?
The canonical SMILES for 2-[(E)-docos-6-enyl]naphthalene is CCCCCCCCCCCCCCC/C=C/CCCCCc1ccc2ccccc2c1.
What is the InChIKey of 2-[(E)-docos-6-enyl]naphthalene?
The InChIKey is MEYRYPRZKOSUIM-WUKNDPDISA-N. The full InChI is InChI=1S/C32H50/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-30-27-28-31-25-22-23-26-32(31)29-30/h16-17,22-23,25-29H,2-15,18-21,24H2,1H3/b17-16+.
What are the key properties of 2-[(E)-docos-6-enyl]naphthalene?
2-[(E)-docos-6-enyl]naphthalene has a molecular weight of 434.75 g/mol, XLogP of 10.98, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-docos-6-enyl]naphthalene is sourced from PubChem (CID 101307769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).