5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-ol

C11H17N3O — CID 114690562

IUPAC5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-ol
SMILESCn1nncc1C1=CC(O)CC(C)(C)C1
InChIInChI=1S/C11H17N3O/c1-11(2)5-8(4-9(15)6-11)10-7-12-13-14(10)3/h4,7,9,15H,5-6H2,1-3H3
InChIKeyHZLWCRXBYHZKBH-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.38
Rot. Bonds1

About 5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-ol

5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-ol (PubChem CID 114690562) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-ol
PubChem CID114690562
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-ol
SMILESCn1nncc1C1=CC(O)CC(C)(C)C1
InChIInChI=1S/C11H17N3O/c1-11(2)5-8(4-9(15)6-11)10-7-12-13-14(10)3/h4,7,9,15H,5-6H2,1-3H3
InChIKeyHZLWCRXBYHZKBH-UHFFFAOYSA-N
XLogP1.38
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-ol?
The IUPAC name of 5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-ol (CID 114690562) is 5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-ol is Cn1nncc1C1=CC(O)CC(C)(C)C1.
What is the InChIKey of 5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-ol?
The InChIKey is HZLWCRXBYHZKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(2)5-8(4-9(15)6-11)10-7-12-13-14(10)3/h4,7,9,15H,5-6H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-ol?
5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-ol has a molecular weight of 207.28 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 114690562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).