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5,5-Dimethyl-1,3-dioxane-2-spirocyclopentane

HCID 69707
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
702-75-0
Standard SMILES
CC1(C)COC2(CCCC2)OC1
InChIKey
JOXSTTXXTNBJRU-UHFFFAOYSA-N
Molecular formula
C10H18O2
Average molar mass
170.25 g/mol
Monoisotopic mass
170.13067981

Names & identifiers

Preferred name
5,5-Dimethyl-1,3-dioxane-2-spirocyclopentane
IUPAC
8,8-dimethyl-6,10-dioxaspiro[4.5]decane
English name
8,8-dimethyl-6,10-dioxaspiro[4.5]decane
Molecular formula
C10H18O2
Molecular weight
170.25

Names & synonyms

702-75-08,8-dimethyl-6,10-dioxaspiro[4.5]decane6,10-Dioxaspiro[4.5]decane, 8,8-dimethyl-8,8-Dimethyl-6,10-dioxaspiro(4.5)decane2AL9O2R3B1NSC 7004NSC-7004EINECS 211-869-26,10-Dioxaspiro(4.5)decane, 8,8-dimethyl-AI3-22869DTXSID00610345,5-Dimethyl-1,3-dioxane-2-spirocyclopentane
Show more names
8,8-Dimethyl-6,10-dioxaspiro[4.5]decan
Cyclopentanone, 2,2-dimethyl-1,3-propanediol ketal2,2-TETRAMETHYLENE-5,5-DIMETHYL-M-DIOXANERefChem:527727DTXCID0046644211-869-2NSC70046, 8,8-dimethyl-6,10-Dioxaspiro[4.5]decane,8,8-dimethyl-

Database identifiers

CAS
702-75-0
PubChem CID
69707
DTXSID
DTXSID0061034
UNII
2AL9O2R3B1
EC Number
211-869-2
Nikkaji
J193.068K

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
157

Physicochemical properties

FDA UNII
2 AL9O2R3B1 · 2AL9O2R3B1
EPA Substance Registry System
6 · 6,10-Dioxaspiro[4.5]decane, 8,8-dimethyl- (702-75-0)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory InformationChemical: 6,10-Dioxaspiro[4.5]decane, 8,8-dimethyl-

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information6,10-Dioxaspiro[4.5]decane, 8,8-dimethyl-: ACTIVE

Upstream & downstream products

Downstream products

5,5-Dimethyl-1,3-dioxan-2-one

Related reactions

1 records
New reaction record
HRID 1491001 reaction equation
HRID 1491001As reactantBorylation dataset from Roche

Compound notes

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