4-[1-[1-(4-hydroxycyclohexyl)ethenoxy]ethenyl]cyclohexan-1-ol

C16H26O3 — CID 67790517

IUPAC4-[1-[1-(4-hydroxycyclohexyl)ethenoxy]ethenyl]cyclohexan-1-ol
SMILESC=C(OC(=C)C1CCC(O)CC1)C1CCC(O)CC1
InChIInChI=1S/C16H26O3/c1-11(13-3-7-15(17)8-4-13)19-12(2)14-5-9-16(18)10-6-14/h13-18H,1-10H2
InChIKeyUIGBOLLDCRYBQF-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.13
Rot. Bonds4

About 4-[1-[1-(4-hydroxycyclohexyl)ethenoxy]ethenyl]cyclohexan-1-ol

4-[1-[1-(4-hydroxycyclohexyl)ethenoxy]ethenyl]cyclohexan-1-ol (PubChem CID 67790517) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[1-[1-(4-hydroxycyclohexyl)ethenoxy]ethenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[1-[1-(4-hydroxycyclohexyl)ethenoxy]ethenyl]cyclohexan-1-ol
PubChem CID67790517
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name4-[1-[1-(4-hydroxycyclohexyl)ethenoxy]ethenyl]cyclohexan-1-ol
SMILESC=C(OC(=C)C1CCC(O)CC1)C1CCC(O)CC1
InChIInChI=1S/C16H26O3/c1-11(13-3-7-15(17)8-4-13)19-12(2)14-5-9-16(18)10-6-14/h13-18H,1-10H2
InChIKeyUIGBOLLDCRYBQF-UHFFFAOYSA-N
XLogP3.13
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(4-hydroxycyclohexyl)ethenoxy]ethenyl]cyclohexan-1-ol?
The IUPAC name of 4-[1-[1-(4-hydroxycyclohexyl)ethenoxy]ethenyl]cyclohexan-1-ol (CID 67790517) is 4-[1-[1-(4-hydroxycyclohexyl)ethenoxy]ethenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[1-[1-(4-hydroxycyclohexyl)ethenoxy]ethenyl]cyclohexan-1-ol?
The canonical SMILES for 4-[1-[1-(4-hydroxycyclohexyl)ethenoxy]ethenyl]cyclohexan-1-ol is C=C(OC(=C)C1CCC(O)CC1)C1CCC(O)CC1.
What is the InChIKey of 4-[1-[1-(4-hydroxycyclohexyl)ethenoxy]ethenyl]cyclohexan-1-ol?
The InChIKey is UIGBOLLDCRYBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-11(13-3-7-15(17)8-4-13)19-12(2)14-5-9-16(18)10-6-14/h13-18H,1-10H2.
What are the key properties of 4-[1-[1-(4-hydroxycyclohexyl)ethenoxy]ethenyl]cyclohexan-1-ol?
4-[1-[1-(4-hydroxycyclohexyl)ethenoxy]ethenyl]cyclohexan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(4-hydroxycyclohexyl)ethenoxy]ethenyl]cyclohexan-1-ol is sourced from PubChem (CID 67790517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).