Tetrahydro-2,2,3,5,5-pentamethyl-3-furanol

Substructure search Find similar structures

Basic information

CAS: 29839-75-6
Standard SMILES: CC1(C)CC(C)(O)C(C)(C)O1
InChIKey: NUKMFPSAYVQCKQ-UHFFFAOYSA-N
Molecular formula: C9H18O2
Average molar mass: 158.24 g/mol
Monoisotopic mass: 158.13067981

Names & identifiers

Preferred name: Tetrahydro-2,2,3,5,5-pentamethyl-3-furanol
IUPAC: 2,2,3,5,5-pentamethyloxolan-3-ol

Names & synonyms

29839-75-6DTXSID101266826Tetrahydro-2,2,3,5,5-pentamethyl-3-furanolRefChem:1099674DTXCID4016974722,2,3,5,5-Pentamethyltetrahydro-3-furanolNSC 337042,2,3,5,5-pentamethyloxolan-3-olNSC337043-FURANOL, TETRAHYDRO-2,2,3,5,5-PENTAMETHYL-NSC-33704AKOS018487767

Database identifiers

CAS: 29839-75-6
PubChem CID: 34731
DTXSID: DTXSID101266826

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 172

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…