4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)triazole

C14H25N3O2 — CID 70766569

IUPAC4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)triazole
SMILESCC(C)OCCn1cc(C2CCOC(C)(C)C2)nn1
InChIInChI=1S/C14H25N3O2/c1-11(2)18-8-6-17-10-13(15-16-17)12-5-7-19-14(3,4)9-12/h10-12H,5-9H2,1-4H3
InChIKeyYJMMSSOAWUOQSZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.38
Rot. Bonds5

About 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)triazole

4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)triazole (PubChem CID 70766569) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)triazole.

Molecular Properties

Compound Name4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)triazole
PubChem CID70766569
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)triazole
SMILESCC(C)OCCn1cc(C2CCOC(C)(C)C2)nn1
InChIInChI=1S/C14H25N3O2/c1-11(2)18-8-6-17-10-13(15-16-17)12-5-7-19-14(3,4)9-12/h10-12H,5-9H2,1-4H3
InChIKeyYJMMSSOAWUOQSZ-UHFFFAOYSA-N
XLogP2.38
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)triazole?
The IUPAC name of 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)triazole (CID 70766569) is 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)triazole.
What is the SMILES notation for 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)triazole?
The canonical SMILES for 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)triazole is CC(C)OCCn1cc(C2CCOC(C)(C)C2)nn1.
What is the InChIKey of 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)triazole?
The InChIKey is YJMMSSOAWUOQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(2)18-8-6-17-10-13(15-16-17)12-5-7-19-14(3,4)9-12/h10-12H,5-9H2,1-4H3.
What are the key properties of 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)triazole?
4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)triazole has a molecular weight of 267.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyloxan-4-yl)-1-(2-propan-2-yloxyethyl)triazole is sourced from PubChem (CID 70766569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).