trans-(1S,2R)-2-[(Z)-hept-1-enyl]-1-[(E)-3-phenylmethoxyprop-1-enyl]cyclohexan-1-ol

C23H34O2 — CID 72704281

IUPACtrans-(1S,2R)-2-[(Z)-hept-1-enyl]-1-[(E)-3-phenylmethoxyprop-1-enyl]cyclohexan-1-ol
SMILESCCCCC/C=C\[C@H]1CCCC[C@]1(O)/C=C/COCc1ccccc1
InChIInChI=1S/C23H34O2/c1-2-3-4-5-9-15-22-16-10-11-17-23(22,24)18-12-19-25-20-21-13-7-6-8-14-21/h6-9,12-15,18,22,24H,2-5,10-11,16-17,19-20H2,1H3/b15-9-,18-12+/t22-,23-/m0/s1
InChIKeyVOCVPEDMZALSTQ-SUUKFTGNSA-N
MW342.52 g/mol
LogP5.82
Rot. Bonds10

About trans-(1S,2R)-2-[(Z)-hept-1-enyl]-1-[(E)-3-phenylmethoxyprop-1-enyl]cyclohexan-1-ol

trans-(1S,2R)-2-[(Z)-hept-1-enyl]-1-[(E)-3-phenylmethoxyprop-1-enyl]cyclohexan-1-ol (PubChem CID 72704281) has the molecular formula C23H34O2 and a molecular weight of 342.52 g/mol. Its IUPAC name is trans-(1S,2R)-2-[(Z)-hept-1-enyl]-1-[(E)-3-phenylmethoxyprop-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[(Z)-hept-1-enyl]-1-[(E)-3-phenylmethoxyprop-1-enyl]cyclohexan-1-ol
PubChem CID72704281
Molecular FormulaC23H34O2
Molecular Weight342.52 g/mol
Exact Mass342.26
IUPAC Nametrans-(1S,2R)-2-[(Z)-hept-1-enyl]-1-[(E)-3-phenylmethoxyprop-1-enyl]cyclohexan-1-ol
SMILESCCCCC/C=C\[C@H]1CCCC[C@]1(O)/C=C/COCc1ccccc1
InChIInChI=1S/C23H34O2/c1-2-3-4-5-9-15-22-16-10-11-17-23(22,24)18-12-19-25-20-21-13-7-6-8-14-21/h6-9,12-15,18,22,24H,2-5,10-11,16-17,19-20H2,1H3/b15-9-,18-12+/t22-,23-/m0/s1
InChIKeyVOCVPEDMZALSTQ-SUUKFTGNSA-N
XLogP5.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[(Z)-hept-1-enyl]-1-[(E)-3-phenylmethoxyprop-1-enyl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-[(Z)-hept-1-enyl]-1-[(E)-3-phenylmethoxyprop-1-enyl]cyclohexan-1-ol (CID 72704281) is trans-(1S,2R)-2-[(Z)-hept-1-enyl]-1-[(E)-3-phenylmethoxyprop-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-[(Z)-hept-1-enyl]-1-[(E)-3-phenylmethoxyprop-1-enyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-[(Z)-hept-1-enyl]-1-[(E)-3-phenylmethoxyprop-1-enyl]cyclohexan-1-ol is CCCCC/C=C\[C@H]1CCCC[C@]1(O)/C=C/COCc1ccccc1.
What is the InChIKey of trans-(1S,2R)-2-[(Z)-hept-1-enyl]-1-[(E)-3-phenylmethoxyprop-1-enyl]cyclohexan-1-ol?
The InChIKey is VOCVPEDMZALSTQ-SUUKFTGNSA-N. The full InChI is InChI=1S/C23H34O2/c1-2-3-4-5-9-15-22-16-10-11-17-23(22,24)18-12-19-25-20-21-13-7-6-8-14-21/h6-9,12-15,18,22,24H,2-5,10-11,16-17,19-20H2,1H3/b15-9-,18-12+/t22-,23-/m0/s1.
What are the key properties of trans-(1S,2R)-2-[(Z)-hept-1-enyl]-1-[(E)-3-phenylmethoxyprop-1-enyl]cyclohexan-1-ol?
trans-(1S,2R)-2-[(Z)-hept-1-enyl]-1-[(E)-3-phenylmethoxyprop-1-enyl]cyclohexan-1-ol has a molecular weight of 342.52 g/mol, XLogP of 5.82, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[(Z)-hept-1-enyl]-1-[(E)-3-phenylmethoxyprop-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 72704281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).