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

C9H18N4O — CID 107046027

IUPAC4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
SMILESCn1nnc(CC(O)CC(C)(C)C)n1
InChIInChI=1S/C9H18N4O/c1-9(2,3)6-7(14)5-8-10-12-13(4)11-8/h7,14H,5-6H2,1-4H3
InChIKeyFPPBGOVTBIWYCM-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.55
Rot. Bonds3

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

4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol (PubChem CID 107046027) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
PubChem CID107046027
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
SMILESCn1nnc(CC(O)CC(C)(C)C)n1
InChIInChI=1S/C9H18N4O/c1-9(2,3)6-7(14)5-8-10-12-13(4)11-8/h7,14H,5-6H2,1-4H3
InChIKeyFPPBGOVTBIWYCM-UHFFFAOYSA-N
XLogP0.55
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol (CID 107046027) is 4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol is Cn1nnc(CC(O)CC(C)(C)C)n1.
What is the InChIKey of 4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The InChIKey is FPPBGOVTBIWYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-9(2,3)6-7(14)5-8-10-12-13(4)11-8/h7,14H,5-6H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol has a molecular weight of 198.27 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol is sourced from PubChem (CID 107046027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).