[4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol

C23H40O2 — CID 70829400

IUPAC[4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol
SMILESCCCC1CCC(/C=C/C2CCC(C3CCC(CO)CC3)OC2)CC1
InChIInChI=1S/C23H40O2/c1-2-3-18-4-6-19(7-5-18)8-9-21-12-15-23(25-17-21)22-13-10-20(16-24)11-14-22/h8-9,18-24H,2-7,10-17H2,1H3/b9-8+
InChIKeyCBWFLHRHJKMABF-CMDGGOBGSA-N
MW348.57 g/mol
LogP5.74
Rot. Bonds6

About [4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol

[4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol (PubChem CID 70829400) has the molecular formula C23H40O2 and a molecular weight of 348.57 g/mol. Its IUPAC name is [4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol
PubChem CID70829400
Molecular FormulaC23H40O2
Molecular Weight348.57 g/mol
Exact Mass348.30
IUPAC Name[4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol
SMILESCCCC1CCC(/C=C/C2CCC(C3CCC(CO)CC3)OC2)CC1
InChIInChI=1S/C23H40O2/c1-2-3-18-4-6-19(7-5-18)8-9-21-12-15-23(25-17-21)22-13-10-20(16-24)11-14-22/h8-9,18-24H,2-7,10-17H2,1H3/b9-8+
InChIKeyCBWFLHRHJKMABF-CMDGGOBGSA-N
XLogP5.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane
CID 20599591
2-[4-[4-[4-(5,5-difluoropent-4-enyl)cyclohexyl]butyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane
CID 20599667
2-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-5-[(E)-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]oxane
CID 20599714
3-[[4-[4-(Fluoromethyl)cyclohexyl]cyclohex-2-en-1-yl]methoxy]-2-(4-methylcyclohexyl)propan-1-ol
CID 70797564
3-[[4-[4-[4-(Fluoromethyl)cyclohexyl]cyclohex-2-en-1-yl]cyclohexyl]methoxy]-2-methylpropan-1-ol
CID 70949008
2-(4-fluorocyclohexyl)-5-[4-[(E)-prop-1-enyl]cyclohexyl]oxane
CID 71108320
2-[4-[4-(2,2-Difluoroethenyl)cyclohexyl]cyclohexyl]-5-pent-1-enyloxane
CID 73690065
2-[4-[4-[4-(5,5-Difluoropent-4-enyl)cyclohexyl]butyl]cyclohexyl]-5-pent-1-enyloxane
CID 73690084
2-[4-(5,5-Difluoropent-4-enyl)cyclohexyl]-5-[2-(4-pent-3-enylcyclohexyl)ethenyl]oxane
CID 73690100
(E,2R,4R,7S,8R)-8-cyclohexyl-8-methoxy-2,4,5,7-tetramethyloct-5-en-1-ol
CID 102400912
(E,2S,4S,7S,8R)-8-cyclohexyl-8-methoxy-2,4,5,7-tetramethyloct-5-en-1-ol
CID 102400914
1-but-3-enoxy-4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexane
CID 19834839

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol?
The IUPAC name of [4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol (CID 70829400) is [4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol.
What is the SMILES notation for [4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol?
The canonical SMILES for [4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol is CCCC1CCC(/C=C/C2CCC(C3CCC(CO)CC3)OC2)CC1.
What is the InChIKey of [4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol?
The InChIKey is CBWFLHRHJKMABF-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H40O2/c1-2-3-18-4-6-19(7-5-18)8-9-21-12-15-23(25-17-21)22-13-10-20(16-24)11-14-22/h8-9,18-24H,2-7,10-17H2,1H3/b9-8+.
What are the key properties of [4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol?
[4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol has a molecular weight of 348.57 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol is sourced from PubChem (CID 70829400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).