1-[(E)-1-phenyloct-1-enyl]cyclohexan-1-ol

C20H30O — CID 14571870

IUPAC1-[(E)-1-phenyloct-1-enyl]cyclohexan-1-ol
SMILESCCCCCC/C=C(\c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C20H30O/c1-2-3-4-5-10-15-19(18-13-8-6-9-14-18)20(21)16-11-7-12-17-20/h6,8-9,13-15,21H,2-5,7,10-12,16-17H2,1H3/b19-15+
InChIKeyNUDZJFLCILOGOP-XDJHFCHBSA-N
MW286.46 g/mol
LogP5.74
Rot. Bonds7

About 1-[(E)-1-phenyloct-1-enyl]cyclohexan-1-ol

1-[(E)-1-phenyloct-1-enyl]cyclohexan-1-ol (PubChem CID 14571870) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[(E)-1-phenyloct-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-1-phenyloct-1-enyl]cyclohexan-1-ol
PubChem CID14571870
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1-[(E)-1-phenyloct-1-enyl]cyclohexan-1-ol
SMILESCCCCCC/C=C(\c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C20H30O/c1-2-3-4-5-10-15-19(18-13-8-6-9-14-18)20(21)16-11-7-12-17-20/h6,8-9,13-15,21H,2-5,7,10-12,16-17H2,1H3/b19-15+
InChIKeyNUDZJFLCILOGOP-XDJHFCHBSA-N
XLogP5.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.74
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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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-phenyloct-1-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-1-phenyloct-1-enyl]cyclohexan-1-ol (CID 14571870) is 1-[(E)-1-phenyloct-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-1-phenyloct-1-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-1-phenyloct-1-enyl]cyclohexan-1-ol is CCCCCC/C=C(\c1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-[(E)-1-phenyloct-1-enyl]cyclohexan-1-ol?
The InChIKey is NUDZJFLCILOGOP-XDJHFCHBSA-N. The full InChI is InChI=1S/C20H30O/c1-2-3-4-5-10-15-19(18-13-8-6-9-14-18)20(21)16-11-7-12-17-20/h6,8-9,13-15,21H,2-5,7,10-12,16-17H2,1H3/b19-15+.
What are the key properties of 1-[(E)-1-phenyloct-1-enyl]cyclohexan-1-ol?
1-[(E)-1-phenyloct-1-enyl]cyclohexan-1-ol has a molecular weight of 286.46 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-phenyloct-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 14571870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).