6-[(E)-2-phenylethenyl]undecan-6-ol

C19H30O — CID 16664378

IUPAC6-[(E)-2-phenylethenyl]undecan-6-ol
SMILESCCCCCC(O)(/C=C/c1ccccc1)CCCCC
InChIInChI=1S/C19H30O/c1-3-5-10-15-19(20,16-11-6-4-2)17-14-18-12-8-7-9-13-18/h7-9,12-14,17,20H,3-6,10-11,15-16H2,1-2H3/b17-14+
InChIKeyQFVPLFFAAPZZIM-SAPNQHFASA-N
MW274.45 g/mol
LogP5.59
Rot. Bonds10

About 6-[(E)-2-phenylethenyl]undecan-6-ol

6-[(E)-2-phenylethenyl]undecan-6-ol (PubChem CID 16664378) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 6-[(E)-2-phenylethenyl]undecan-6-ol.

Molecular Properties

Compound Name6-[(E)-2-phenylethenyl]undecan-6-ol
PubChem CID16664378
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name6-[(E)-2-phenylethenyl]undecan-6-ol
SMILESCCCCCC(O)(/C=C/c1ccccc1)CCCCC
InChIInChI=1S/C19H30O/c1-3-5-10-15-19(20,16-11-6-4-2)17-14-18-12-8-7-9-13-18/h7-9,12-14,17,20H,3-6,10-11,15-16H2,1-2H3/b17-14+
InChIKeyQFVPLFFAAPZZIM-SAPNQHFASA-N
XLogP5.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethylnon-1-enylbenzene
CID 173227599
(3-methoxy-3-methyldodec-1-enyl)benzene
CID 152539606
2-methylnonan-2-yl(2-phenylethenyl)silane
CID 173268172
pentan-1-ol;(E)-stilbene
CID 172553874
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine
CID 139722796
2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine
CID 139722692
1-phenylundec-1-en-3-one
CID 3805572
(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
2-methyl-N-(2-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine
CID 139723503
[(E)-octadec-1-enyl]benzene
CID 22722345
[(1E,3E)-3-bromonona-1,3-dienyl]benzene
CID 135039609

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-phenylethenyl]undecan-6-ol?
The IUPAC name of 6-[(E)-2-phenylethenyl]undecan-6-ol (CID 16664378) is 6-[(E)-2-phenylethenyl]undecan-6-ol.
What is the SMILES notation for 6-[(E)-2-phenylethenyl]undecan-6-ol?
The canonical SMILES for 6-[(E)-2-phenylethenyl]undecan-6-ol is CCCCCC(O)(/C=C/c1ccccc1)CCCCC.
What is the InChIKey of 6-[(E)-2-phenylethenyl]undecan-6-ol?
The InChIKey is QFVPLFFAAPZZIM-SAPNQHFASA-N. The full InChI is InChI=1S/C19H30O/c1-3-5-10-15-19(20,16-11-6-4-2)17-14-18-12-8-7-9-13-18/h7-9,12-14,17,20H,3-6,10-11,15-16H2,1-2H3/b17-14+.
What are the key properties of 6-[(E)-2-phenylethenyl]undecan-6-ol?
6-[(E)-2-phenylethenyl]undecan-6-ol has a molecular weight of 274.45 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-phenylethenyl]undecan-6-ol is sourced from PubChem (CID 16664378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).