2-ethyl-4-[(4-ethyltriazol-1-yl)methyl]-2,4-dimethylhexan-1-ol

C15H29N3O — CID 166838069

IUPAC2-ethyl-4-[(4-ethyltriazol-1-yl)methyl]-2,4-dimethylhexan-1-ol
SMILESCCc1cn(CC(C)(CC)CC(C)(CC)CO)nn1
InChIInChI=1S/C15H29N3O/c1-6-13-9-18(17-16-13)11-14(4,7-2)10-15(5,8-3)12-19/h9,19H,6-8,10-12H2,1-5H3
InChIKeyWXHNCUXCDDSNNN-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.06
Rot. Bonds8

About 2-ethyl-4-[(4-ethyltriazol-1-yl)methyl]-2,4-dimethylhexan-1-ol

2-ethyl-4-[(4-ethyltriazol-1-yl)methyl]-2,4-dimethylhexan-1-ol (PubChem CID 166838069) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-ethyl-4-[(4-ethyltriazol-1-yl)methyl]-2,4-dimethylhexan-1-ol.

Molecular Properties

Compound Name2-ethyl-4-[(4-ethyltriazol-1-yl)methyl]-2,4-dimethylhexan-1-ol
PubChem CID166838069
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-ethyl-4-[(4-ethyltriazol-1-yl)methyl]-2,4-dimethylhexan-1-ol
SMILESCCc1cn(CC(C)(CC)CC(C)(CC)CO)nn1
InChIInChI=1S/C15H29N3O/c1-6-13-9-18(17-16-13)11-14(4,7-2)10-15(5,8-3)12-19/h9,19H,6-8,10-12H2,1-5H3
InChIKeyWXHNCUXCDDSNNN-UHFFFAOYSA-N
XLogP3.06
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
bis(1,4-diethyltriazole);ethane
CID 160569546
1-[4-(2-aminoethyl)triazol-1-yl]-2-methylbutan-2-ol
CID 114496907
1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol
CID 114497656
4-ethyl-1-(fluoromethyl)triazole
CID 89457557
2-(4-ethyltriazol-1-yl)acetic acid
CID 67477110
4-ethyl-1-(2-methylpropyl)triazole
CID 89281755
1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol
CID 114496914
1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol
CID 114496925
2-methyl-2-[[4-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]triazol-1-yl]methyl]propane-1,3-diol
CID 166350012
1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole
CID 137417176
1-(6,6-dimethylhept-4-ynyl)-4-ethyltriazole
CID 161179735

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(4-ethyltriazol-1-yl)methyl]-2,4-dimethylhexan-1-ol?
The IUPAC name of 2-ethyl-4-[(4-ethyltriazol-1-yl)methyl]-2,4-dimethylhexan-1-ol (CID 166838069) is 2-ethyl-4-[(4-ethyltriazol-1-yl)methyl]-2,4-dimethylhexan-1-ol.
What is the SMILES notation for 2-ethyl-4-[(4-ethyltriazol-1-yl)methyl]-2,4-dimethylhexan-1-ol?
The canonical SMILES for 2-ethyl-4-[(4-ethyltriazol-1-yl)methyl]-2,4-dimethylhexan-1-ol is CCc1cn(CC(C)(CC)CC(C)(CC)CO)nn1.
What is the InChIKey of 2-ethyl-4-[(4-ethyltriazol-1-yl)methyl]-2,4-dimethylhexan-1-ol?
The InChIKey is WXHNCUXCDDSNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-6-13-9-18(17-16-13)11-14(4,7-2)10-15(5,8-3)12-19/h9,19H,6-8,10-12H2,1-5H3.
What are the key properties of 2-ethyl-4-[(4-ethyltriazol-1-yl)methyl]-2,4-dimethylhexan-1-ol?
2-ethyl-4-[(4-ethyltriazol-1-yl)methyl]-2,4-dimethylhexan-1-ol has a molecular weight of 267.42 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(4-ethyltriazol-1-yl)methyl]-2,4-dimethylhexan-1-ol is sourced from PubChem (CID 166838069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).