1-Ethynyl-3,3,5-trimethylcyclohexanol

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Basic information

CAS: 70487-02-4
Standard SMILES: C#CC1(O)CC(C)CC(C)(C)C1
InChIKey: RYPNPJHJLHWROV-UHFFFAOYSA-N
Molecular formula: C11H18O
Average molar mass: 166.26 g/mol
Monoisotopic mass: 166.1357652

Names & identifiers

Preferred name: 1-Ethynyl-3,3,5-trimethylcyclohexanol
IUPAC: 1-ethynyl-3,3,5-trimethylcyclohexan-1-ol

Names & synonyms

70487-02-41-ethynyl-3,3,5-trimethylcyclohexanolDTXSID40283456RefChem:230435DTXCID602346071-ethynyl-3,3,5-trimethylcyclohexan-1-olNSC31640SCHEMBL11369018RYPNPJHJLHWROV-UHFFFAOYSA-NNSC-31640AKOS0142446791-ethynyl-3,3,5-trimethyl-cyclohexanol

Show more names

CS-0353120EN300-12502911-Hydroxy-1-ethynyl-3,3,5-trimethyl-cyclohexane

Database identifiers

CAS: 70487-02-4
PubChem CID: 233268
DTXSID: DTXSID40283456

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 220

Related reactions

3 records

New reaction record

HRID 25889As reactantuspto-grants-1979_04

HRID 444382As reactantuspto-grants-1981_04

HRID 1577769As reactantuspto-grants-1981_09

Compound notes

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