1,8-Octanediol, 2,2,7,7-tetramethyl-

HCID 213848

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Basic information

CAS: 27143-31-3
Standard SMILES: CC(C)(CO)CCCCC(C)(C)CO
InChIKey: SMYWXTFVRVVDGL-UHFFFAOYSA-N
Molecular formula: C12H26O2
Average molar mass: 202.33 g/mol
Monoisotopic mass: 202.19328007

Names & identifiers

Preferred name: 1,8-Octanediol, 2,2,7,7-tetramethyl-
IUPAC: 2,2,7,7-tetramethyloctane-1,8-diol
English name: 2,2,7,7-tetramethyloctane-1,8-diol
Molecular formula: C12H26O2
Molecular weight: 202.33

Names & synonyms

1,8-Octanediol, 2,2,7,7-tetramethyl-2,2,7,7-Tetramethyl-1,8-octanediolBRN 192160927143-31-3DTXSID20181608RefChem:221898DTXCID201040992,2,7,7-tetramethyloctane-1,8-diolSCHEMBL6270199SMYWXTFVRVVDGL-UHFFFAOYSA-N

Database identifiers

CAS: 27143-31-3
PubChem CID: 213848
DTXSID: DTXSID20181608

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 14
Formal charge: 0
Complexity: 132

Related reactions

1 records

New reaction record

HRID 1262822As reactantuspto-grants-1984_06

Compound notes

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