2,2-dimethyl-3-[(2-methyltetrazol-5-yl)methoxy]propan-1-ol

C8H16N4O2 — CID 107046229

IUPAC2,2-dimethyl-3-[(2-methyltetrazol-5-yl)methoxy]propan-1-ol
SMILESCn1nnc(COCC(C)(C)CO)n1
InChIInChI=1S/C8H16N4O2/c1-8(2,5-13)6-14-4-7-9-11-12(3)10-7/h13H,4-6H2,1-3H3
InChIKeyQAFXZVDDVIEKKY-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.25
Rot. Bonds5

About 2,2-dimethyl-3-[(2-methyltetrazol-5-yl)methoxy]propan-1-ol

2,2-dimethyl-3-[(2-methyltetrazol-5-yl)methoxy]propan-1-ol (PubChem CID 107046229) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-methyltetrazol-5-yl)methoxy]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-methyltetrazol-5-yl)methoxy]propan-1-ol
PubChem CID107046229
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name2,2-dimethyl-3-[(2-methyltetrazol-5-yl)methoxy]propan-1-ol
SMILESCn1nnc(COCC(C)(C)CO)n1
InChIInChI=1S/C8H16N4O2/c1-8(2,5-13)6-14-4-7-9-11-12(3)10-7/h13H,4-6H2,1-3H3
InChIKeyQAFXZVDDVIEKKY-UHFFFAOYSA-N
XLogP-0.25
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-methyltetrazol-5-yl)methoxy]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(2-methyltetrazol-5-yl)methoxy]propan-1-ol (CID 107046229) is 2,2-dimethyl-3-[(2-methyltetrazol-5-yl)methoxy]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(2-methyltetrazol-5-yl)methoxy]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(2-methyltetrazol-5-yl)methoxy]propan-1-ol is Cn1nnc(COCC(C)(C)CO)n1.
What is the InChIKey of 2,2-dimethyl-3-[(2-methyltetrazol-5-yl)methoxy]propan-1-ol?
The InChIKey is QAFXZVDDVIEKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-8(2,5-13)6-14-4-7-9-11-12(3)10-7/h13H,4-6H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(2-methyltetrazol-5-yl)methoxy]propan-1-ol?
2,2-dimethyl-3-[(2-methyltetrazol-5-yl)methoxy]propan-1-ol has a molecular weight of 200.24 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-methyltetrazol-5-yl)methoxy]propan-1-ol is sourced from PubChem (CID 107046229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).