1-ethynyl-3,3-dimethylcyclohexan-1-ol

C10H16O — CID 20569391

IUPAC1-ethynyl-3,3-dimethylcyclohexan-1-ol
SMILESC#CC1(O)CCCC(C)(C)C1
InChIInChI=1S/C10H16O/c1-4-10(11)7-5-6-9(2,3)8-10/h1,11H,5-8H2,2-3H3
InChIKeyHIHHHOINJQWJTO-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.95
Rot. Bonds

About 1-ethynyl-3,3-dimethylcyclohexan-1-ol

1-ethynyl-3,3-dimethylcyclohexan-1-ol (PubChem CID 20569391) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-ethynyl-3,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-ethynyl-3,3-dimethylcyclohexan-1-ol
PubChem CID20569391
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-ethynyl-3,3-dimethylcyclohexan-1-ol
SMILESC#CC1(O)CCCC(C)(C)C1
InChIInChI=1S/C10H16O/c1-4-10(11)7-5-6-9(2,3)8-10/h1,11H,5-8H2,2-3H3
InChIKeyHIHHHOINJQWJTO-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-3,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-ethynyl-3,3-dimethylcyclohexan-1-ol (CID 20569391) is 1-ethynyl-3,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-ethynyl-3,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-ethynyl-3,3-dimethylcyclohexan-1-ol is C#CC1(O)CCCC(C)(C)C1.
What is the InChIKey of 1-ethynyl-3,3-dimethylcyclohexan-1-ol?
The InChIKey is HIHHHOINJQWJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-10(11)7-5-6-9(2,3)8-10/h1,11H,5-8H2,2-3H3.
What are the key properties of 1-ethynyl-3,3-dimethylcyclohexan-1-ol?
1-ethynyl-3,3-dimethylcyclohexan-1-ol has a molecular weight of 152.24 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-3,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 20569391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).