2-ethoxy-3,3-dimethyl-1-(3-methyltriazol-4-yl)butan-1-ol

C11H21N3O2 — CID 114686804

IUPAC2-ethoxy-3,3-dimethyl-1-(3-methyltriazol-4-yl)butan-1-ol
SMILESCCOC(C(O)c1cnnn1C)C(C)(C)C
InChIInChI=1S/C11H21N3O2/c1-6-16-10(11(2,3)4)9(15)8-7-12-13-14(8)5/h7,9-10,15H,6H2,1-5H3
InChIKeyUIQDNRSKWYCKFJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.30
Rot. Bonds4

About 2-ethoxy-3,3-dimethyl-1-(3-methyltriazol-4-yl)butan-1-ol

2-ethoxy-3,3-dimethyl-1-(3-methyltriazol-4-yl)butan-1-ol (PubChem CID 114686804) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-ethoxy-3,3-dimethyl-1-(3-methyltriazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-ethoxy-3,3-dimethyl-1-(3-methyltriazol-4-yl)butan-1-ol
PubChem CID114686804
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-ethoxy-3,3-dimethyl-1-(3-methyltriazol-4-yl)butan-1-ol
SMILESCCOC(C(O)c1cnnn1C)C(C)(C)C
InChIInChI=1S/C11H21N3O2/c1-6-16-10(11(2,3)4)9(15)8-7-12-13-14(8)5/h7,9-10,15H,6H2,1-5H3
InChIKeyUIQDNRSKWYCKFJ-UHFFFAOYSA-N
XLogP1.30
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3-dimethyl-1-(3-methyltriazol-4-yl)butan-1-ol?
The IUPAC name of 2-ethoxy-3,3-dimethyl-1-(3-methyltriazol-4-yl)butan-1-ol (CID 114686804) is 2-ethoxy-3,3-dimethyl-1-(3-methyltriazol-4-yl)butan-1-ol.
What is the SMILES notation for 2-ethoxy-3,3-dimethyl-1-(3-methyltriazol-4-yl)butan-1-ol?
The canonical SMILES for 2-ethoxy-3,3-dimethyl-1-(3-methyltriazol-4-yl)butan-1-ol is CCOC(C(O)c1cnnn1C)C(C)(C)C.
What is the InChIKey of 2-ethoxy-3,3-dimethyl-1-(3-methyltriazol-4-yl)butan-1-ol?
The InChIKey is UIQDNRSKWYCKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-6-16-10(11(2,3)4)9(15)8-7-12-13-14(8)5/h7,9-10,15H,6H2,1-5H3.
What are the key properties of 2-ethoxy-3,3-dimethyl-1-(3-methyltriazol-4-yl)butan-1-ol?
2-ethoxy-3,3-dimethyl-1-(3-methyltriazol-4-yl)butan-1-ol has a molecular weight of 227.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3-dimethyl-1-(3-methyltriazol-4-yl)butan-1-ol is sourced from PubChem (CID 114686804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).