1-[4-(2,2-diethoxyethyl)triazol-1-yl]cyclohexan-1-ol

C14H25N3O3 — CID 134693368

IUPAC1-[4-(2,2-diethoxyethyl)triazol-1-yl]cyclohexan-1-ol
SMILESCCOC(Cc1cn(C2(O)CCCCC2)nn1)OCC
InChIInChI=1S/C14H25N3O3/c1-3-19-13(20-4-2)10-12-11-17(16-15-12)14(18)8-6-5-7-9-14/h11,13,18H,3-10H2,1-2H3
InChIKeyUHCXYCVVHVPTGA-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.83
Rot. Bonds7

About 1-[4-(2,2-diethoxyethyl)triazol-1-yl]cyclohexan-1-ol

1-[4-(2,2-diethoxyethyl)triazol-1-yl]cyclohexan-1-ol (PubChem CID 134693368) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[4-(2,2-diethoxyethyl)triazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[4-(2,2-diethoxyethyl)triazol-1-yl]cyclohexan-1-ol
PubChem CID134693368
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[4-(2,2-diethoxyethyl)triazol-1-yl]cyclohexan-1-ol
SMILESCCOC(Cc1cn(C2(O)CCCCC2)nn1)OCC
InChIInChI=1S/C14H25N3O3/c1-3-19-13(20-4-2)10-12-11-17(16-15-12)14(18)8-6-5-7-9-14/h11,13,18H,3-10H2,1-2H3
InChIKeyUHCXYCVVHVPTGA-UHFFFAOYSA-N
XLogP1.83
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-diethoxyethyl)triazol-1-yl]cyclohexan-1-ol?
The IUPAC name of 1-[4-(2,2-diethoxyethyl)triazol-1-yl]cyclohexan-1-ol (CID 134693368) is 1-[4-(2,2-diethoxyethyl)triazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[4-(2,2-diethoxyethyl)triazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[4-(2,2-diethoxyethyl)triazol-1-yl]cyclohexan-1-ol is CCOC(Cc1cn(C2(O)CCCCC2)nn1)OCC.
What is the InChIKey of 1-[4-(2,2-diethoxyethyl)triazol-1-yl]cyclohexan-1-ol?
The InChIKey is UHCXYCVVHVPTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-19-13(20-4-2)10-12-11-17(16-15-12)14(18)8-6-5-7-9-14/h11,13,18H,3-10H2,1-2H3.
What are the key properties of 1-[4-(2,2-diethoxyethyl)triazol-1-yl]cyclohexan-1-ol?
1-[4-(2,2-diethoxyethyl)triazol-1-yl]cyclohexan-1-ol has a molecular weight of 283.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-diethoxyethyl)triazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 134693368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).