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'}

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

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Related Compounds

[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
undec-4-enoxymethylbenzene
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CID 10591538
benzyl 2-[(E)-hept-1-enyl]pyrrolidine-1-carboxylate
CID 102467264
[(1R,2R,6S)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethylbenzene
CID 57274536
trans-ethyl (1S,2S)-2-hydroxy-1-[(E)-6-phenylmethoxyhex-4-enyl]cyclopentane-1-carboxylate
CID 102017219
(2S,3S)-2-[(Z)-non-1-enyl]-3-(phenylmethoxymethyl)oxirane
CID 23729971
(2S,3R)-2-[(E)-pentadec-1-enyl]-3-(phenylmethoxymethyl)aziridine
CID 10926798
[(E)-oct-2-enyl]benzene
CID 13383320
ethoxyethane;[(E)-oct-2-enyl]benzene
CID 67924606
(2S)-2-[(Z)-3-phenylmethoxyprop-1-enyl]heptanoic acid
CID 101175569
(4S,5S)-4-[(E)-pentadec-1-enyl]-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 10982596

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).