1,3-Dioxane-2-ethanol, 5-ethyl-5-(hydroxymethyl)-beta,beta-dimethyl-

HCID 21881827
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Basic information

CAS
59802-10-7
Standard SMILES
CCC1(CO)COC(C(C)(C)CO)OC1
InChIKey
HXEWWQYSYQOUSD-UHFFFAOYSA-N
Molecular formula
C11H22O4
Average molar mass
218.29 g/mol
Monoisotopic mass
218.15180918

Names & identifiers

Preferred name
1,3-Dioxane-2-ethanol, 5-ethyl-5-(hydroxymethyl)-beta,beta-dimethyl-
IUPAC
2-[5-ethyl-5-(hydroxymethyl)-1,3-dioxan-2-yl]-2-methylpropan-1-ol

Names & synonyms

59802-10-71,3-Dioxane-2-ethanol, 5-ethyl-5-(hydroxymethyl)-beta,beta-dimethyl-DTXSID90754041,3-Dioxane-2-ethanol, 5-ethyl-5-(hydroxymethyl)-.beta.,.beta.-dimethyl-RefChem:414769DTXCID30427162-[5-ethyl-5-(hydroxymethyl)-1,3-dioxan-2-yl]-2-methylpropan-1-olSCHEMBL2334605-ethyl-5-(hydroxymethyl)-beta,beta-dimethyl-1,3-dioxane-2-ethanol5-methylol-5-ethyl-2-(1,1-dimethyl-2-hydroxyethyl)-1,3-dioxane2-(5-ethyl-5-hydroxymethyl-[1,3]dioxan-2-yl)-2-methyl-propan-1-ol

Database identifiers

CAS
59802-10-7
PubChem CID
21881827
DTXSID
DTXSID9075404
Nikkaji
J43.103F

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
58.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15

Safety & regulation

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Regulatory information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,3-Dioxane-2-ethanol, 5-ethyl-5-(hydroxymethyl)-.beta.,.beta.-dimethyl-: INACTIVE

Related reactions

1 records
New reaction record

Compound notes

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