3,3,5-trimethyl-1-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-ol

C12H22N4O — CID 107045668

IUPAC3,3,5-trimethyl-1-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(Cc2nnn(C)n2)C1
InChIInChI=1S/C12H22N4O/c1-9-5-11(2,3)8-12(17,6-9)7-10-13-15-16(4)14-10/h9,17H,5-8H2,1-4H3
InChIKeyJELNJCOFENGBQZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.33
Rot. Bonds2

About 3,3,5-trimethyl-1-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-ol

3,3,5-trimethyl-1-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-ol (PubChem CID 107045668) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3,3,5-trimethyl-1-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-ol
PubChem CID107045668
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3,3,5-trimethyl-1-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(Cc2nnn(C)n2)C1
InChIInChI=1S/C12H22N4O/c1-9-5-11(2,3)8-12(17,6-9)7-10-13-15-16(4)14-10/h9,17H,5-8H2,1-4H3
InChIKeyJELNJCOFENGBQZ-UHFFFAOYSA-N
XLogP1.33
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 3,3,5-trimethyl-1-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-ol (CID 107045668) is 3,3,5-trimethyl-1-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3,3,5-trimethyl-1-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 3,3,5-trimethyl-1-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-ol is CC1CC(C)(C)CC(O)(Cc2nnn(C)n2)C1.
What is the InChIKey of 3,3,5-trimethyl-1-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-ol?
The InChIKey is JELNJCOFENGBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-5-11(2,3)8-12(17,6-9)7-10-13-15-16(4)14-10/h9,17H,5-8H2,1-4H3.
What are the key properties of 3,3,5-trimethyl-1-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-ol?
3,3,5-trimethyl-1-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 107045668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).