[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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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).