3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol

C11H19N3O — CID 114685035

IUPAC3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
SMILESCn1nncc1C1(O)CCCC(C)(C)C1
InChIInChI=1S/C11H19N3O/c1-10(2)5-4-6-11(15,8-10)9-7-12-13-14(9)3/h7,15H,4-6,8H2,1-3H3
InChIKeyFXGJVUJWJVGKDY-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.60
Rot. Bonds1

About 3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol

3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol (PubChem CID 114685035) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
PubChem CID114685035
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
SMILESCn1nncc1C1(O)CCCC(C)(C)C1
InChIInChI=1S/C11H19N3O/c1-10(2)5-4-6-11(15,8-10)9-7-12-13-14(9)3/h7,15H,4-6,8H2,1-3H3
InChIKeyFXGJVUJWJVGKDY-UHFFFAOYSA-N
XLogP1.60
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclopentan-1-ol
CID 114685262
3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 106874064
3,3-dimethyl-1-(3-phenyltriazol-4-yl)cyclopentan-1-ol
CID 114685264
3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 114685052
2,2-dimethyl-3-(3-methyltriazol-4-yl)oxolan-3-ol
CID 130640510
1-(3-propyltriazol-4-yl)cyclopentan-1-ol
CID 114684539
2-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 106873715
4-(3-methyltriazol-4-yl)-2-propyloxan-4-ol
CID 114685011
1-(3-chlorothiophen-2-yl)-3,3-dimethylcyclohexan-1-ol
CID 107359043
5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole
CID 114690669
6-methyl-1-(3-methyltriazol-4-yl)-2,3-dihydroinden-1-ol
CID 114685342
4-(3-methyltriazol-4-yl)oxane-4-carboxylic acid
CID 130545140

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol?
The IUPAC name of 3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol (CID 114685035) is 3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol is Cn1nncc1C1(O)CCCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol?
The InChIKey is FXGJVUJWJVGKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(2)5-4-6-11(15,8-10)9-7-12-13-14(9)3/h7,15H,4-6,8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol?
3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 114685035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).