3-methoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol

C10H20N4O2 — CID 107048153

IUPAC3-methoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
SMILESCOC(C(O)Cc1nnn(C)n1)C(C)(C)C
InChIInChI=1S/C10H20N4O2/c1-10(2,3)9(16-5)7(15)6-8-11-13-14(4)12-8/h7,9,15H,6H2,1-5H3
InChIKeyBWTXLSGKAKJVIQ-UHFFFAOYSA-N
MW228.30 g/mol
LogP0.17
Rot. Bonds4

About 3-methoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol

3-methoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol (PubChem CID 107048153) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-methoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name3-methoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
PubChem CID107048153
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name3-methoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
SMILESCOC(C(O)Cc1nnn(C)n1)C(C)(C)C
InChIInChI=1S/C10H20N4O2/c1-10(2,3)9(16-5)7(15)6-8-11-13-14(4)12-8/h7,9,15H,6H2,1-5H3
InChIKeyBWTXLSGKAKJVIQ-UHFFFAOYSA-N
XLogP0.17
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The IUPAC name of 3-methoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol (CID 107048153) is 3-methoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol.
What is the SMILES notation for 3-methoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The canonical SMILES for 3-methoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol is COC(C(O)Cc1nnn(C)n1)C(C)(C)C.
What is the InChIKey of 3-methoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The InChIKey is BWTXLSGKAKJVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-10(2,3)9(16-5)7(15)6-8-11-13-14(4)12-8/h7,9,15H,6H2,1-5H3.
What are the key properties of 3-methoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
3-methoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol has a molecular weight of 228.30 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol is sourced from PubChem (CID 107048153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).