(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-ol

C13H18F2O2 — CID 126727548

IUPAC(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)OCC1CCCCC1
InChIInChI=1S/C13H18F2O2/c1-9(16)12(14)13(15)10(2)17-8-11-6-4-3-5-7-11/h11,16H,1-8H2/b13-12-
InChIKeyKOCUZNRIJSGYHP-SEYXRHQNSA-N
MW244.28 g/mol
LogP4.32
Rot. Bonds5

About (3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-ol

(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-ol (PubChem CID 126727548) has the molecular formula C13H18F2O2 and a molecular weight of 244.28 g/mol. Its IUPAC name is (3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-ol
PubChem CID126727548
Molecular FormulaC13H18F2O2
Molecular Weight244.28 g/mol
Exact Mass244.13
IUPAC Name(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)OCC1CCCCC1
InChIInChI=1S/C13H18F2O2/c1-9(16)12(14)13(15)10(2)17-8-11-6-4-3-5-7-11/h11,16H,1-8H2/b13-12-
InChIKeyKOCUZNRIJSGYHP-SEYXRHQNSA-N
XLogP4.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[(3Z)-3,4-difluoro-5-[(4-methylcyclohexyl)methoxy]hexa-1,3,5-trien-2-yl]oxymethyl]-4-methylcyclohexane;ethane
CID 143291818
1-[[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-methylcyclohexane
CID 143286437
1-[[(3Z)-3,4-difluoro-5-methylidenehepta-1,3-dien-2-yl]oxymethyl]-4-propylcyclohexane
CID 145027741
1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane
CID 143291802
cyclohexylmethoxymethylcyclohexane;hydroxylamine
CID 67759423
3-(cyclohexylmethoxy)-3-oxopropanoic acid
CID 19378623
2-methyl-5-[[(3Z,7Z)-3,4,7,8-tetrafluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxymethyl]oxane
CID 145301366
4-(cyclohexylmethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoic acid
CID 59030191
cyclohexylmethyl pyrrolidine-1-carboxylate
CID 85230627
cyclohexylmethyl 2-amino-2-cyclohexylacetate
CID 62383818
cyclopentylmethyl 2-methylidenebutanoate
CID 156770816
potassium cyclohexylmethoxymethanedithioate
CID 143816375

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-ol (CID 126727548) is (3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-ol is C=C(O)/C(F)=C(/F)C(=C)OCC1CCCCC1.
What is the InChIKey of (3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-ol?
The InChIKey is KOCUZNRIJSGYHP-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H18F2O2/c1-9(16)12(14)13(15)10(2)17-8-11-6-4-3-5-7-11/h11,16H,1-8H2/b13-12-.
What are the key properties of (3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-ol?
(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-ol has a molecular weight of 244.28 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-ol is sourced from PubChem (CID 126727548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).