2-[(E)-henicos-13-enyl]naphthalene

C31H48 — CID 101307743

IUPAC2-[(E)-henicos-13-enyl]naphthalene
SMILESCCCCCCC/C=C/CCCCCCCCCCCCc1ccc2ccccc2c1
InChIInChI=1S/C31H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-29-26-27-30-24-21-22-25-31(30)28-29/h8-9,21-22,24-28H,2-7,10-20,23H2,1H3/b9-8+
InChIKeyDDFMPSIGDVCDKJ-CMDGGOBGSA-N
MW420.73 g/mol
LogP10.59
Rot. Bonds19

About 2-[(E)-henicos-13-enyl]naphthalene

2-[(E)-henicos-13-enyl]naphthalene (PubChem CID 101307743) has the molecular formula C31H48 and a molecular weight of 420.73 g/mol. Its IUPAC name is 2-[(E)-henicos-13-enyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-henicos-13-enyl]naphthalene
PubChem CID101307743
Molecular FormulaC31H48
Molecular Weight420.73 g/mol
Exact Mass420.38
IUPAC Name2-[(E)-henicos-13-enyl]naphthalene
SMILESCCCCCCC/C=C/CCCCCCCCCCCCc1ccc2ccccc2c1
InChIInChI=1S/C31H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-29-26-27-30-24-21-22-25-31(30)28-29/h8-9,21-22,24-28H,2-7,10-20,23H2,1H3/b9-8+
InChIKeyDDFMPSIGDVCDKJ-CMDGGOBGSA-N
XLogP10.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.73
LogP ≤ 510.59
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)-docos-6-enyl]naphthalene
CID 101307769
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)-henicos-13-enyl]naphthalene?
The IUPAC name of 2-[(E)-henicos-13-enyl]naphthalene (CID 101307743) is 2-[(E)-henicos-13-enyl]naphthalene.
What is the SMILES notation for 2-[(E)-henicos-13-enyl]naphthalene?
The canonical SMILES for 2-[(E)-henicos-13-enyl]naphthalene is CCCCCCC/C=C/CCCCCCCCCCCCc1ccc2ccccc2c1.
What is the InChIKey of 2-[(E)-henicos-13-enyl]naphthalene?
The InChIKey is DDFMPSIGDVCDKJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C31H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-29-26-27-30-24-21-22-25-31(30)28-29/h8-9,21-22,24-28H,2-7,10-20,23H2,1H3/b9-8+.
What are the key properties of 2-[(E)-henicos-13-enyl]naphthalene?
2-[(E)-henicos-13-enyl]naphthalene has a molecular weight of 420.73 g/mol, XLogP of 10.59, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-henicos-13-enyl]naphthalene is sourced from PubChem (CID 101307743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).