1-(2-methyltetrazol-5-yl)octan-2-ol

C10H20N4O — CID 107046019

IUPAC1-(2-methyltetrazol-5-yl)octan-2-ol
SMILESCCCCCCC(O)Cc1nnn(C)n1
InChIInChI=1S/C10H20N4O/c1-3-4-5-6-7-9(15)8-10-11-13-14(2)12-10/h9,15H,3-8H2,1-2H3
InChIKeyPEXMDHZOOGSUNS-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.08
Rot. Bonds7

About 1-(2-methyltetrazol-5-yl)octan-2-ol

1-(2-methyltetrazol-5-yl)octan-2-ol (PubChem CID 107046019) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)octan-2-ol.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)octan-2-ol
PubChem CID107046019
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name1-(2-methyltetrazol-5-yl)octan-2-ol
SMILESCCCCCCC(O)Cc1nnn(C)n1
InChIInChI=1S/C10H20N4O/c1-3-4-5-6-7-9(15)8-10-11-13-14(2)12-10/h9,15H,3-8H2,1-2H3
InChIKeyPEXMDHZOOGSUNS-UHFFFAOYSA-N
XLogP1.08
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-ylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047831
5-butyl-2-methyltetrazole;ethane
CID 144800630
N-[(2-methyltetrazol-5-yl)methyl]octan-4-amine
CID 107167915
4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
CID 107046551
1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047829
1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol
CID 67042033
1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one
CID 107063530
octacosan-4-ol
CID 54117167
(4S)-nonadecan-4-ol
CID 89325355
icosan-9-ol
CID 11983377
(7R)-hexatriacontan-7-ol
CID 88529159
tetracosan-6-ol
CID 154265400

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)octan-2-ol?
The IUPAC name of 1-(2-methyltetrazol-5-yl)octan-2-ol (CID 107046019) is 1-(2-methyltetrazol-5-yl)octan-2-ol.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)octan-2-ol?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)octan-2-ol is CCCCCCC(O)Cc1nnn(C)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)octan-2-ol?
The InChIKey is PEXMDHZOOGSUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-3-4-5-6-7-9(15)8-10-11-13-14(2)12-10/h9,15H,3-8H2,1-2H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)octan-2-ol?
1-(2-methyltetrazol-5-yl)octan-2-ol has a molecular weight of 212.30 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)octan-2-ol is sourced from PubChem (CID 107046019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).