Basic information
- CAS
13051-32-6- Standard SMILES
COC(=O)CCC(C)(C)C(=O)OC- InChIKey
FNUCRTXRRVUFJJ-UHFFFAOYSA-N- Molecular formula
- C9H16O4
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.10485899
Names & identifiers
- Preferred name
- 1,5-Dimethyl 2,2-dimethylpentanedioate
- IUPAC
- dimethyl 2,2-dimethylpentanedioate
- English name
- dimethyl 2,2-dimethylglutarate
- Molecular formula
- C9H16O4
- Molecular weight
- 188.22
Names & synonyms
13051-32-6Dimethyl 2,2-dimethylglutarate1,5-dimethyl 2,2-dimethylpentanedioateDTXSID50156581RefChem:1053446DTXCID3079072235-928-7Dimethyl 2,2-dimethylpentanedioateMFCD11553050EINECS 235-928-7Glutaric acid, 2,2-dimethyl-, dimethyl esterPentanedioic acid, 2,2-dimethyl-, dimethyl ester
Show more names
2,2-Dimethylpentanedioic acid dimethyl2,2-Dimethylpentanedioic acid dimethyl estermethyl 5-methoxy-4,4-dimethyl-5-oxopentanoatePentanedioic acid, 2,2-dimethyl-, 1,5-dimethyl ester
SCHEMBL759137dimethyl-2,2-dimethylglutaratePentanedioic acid,2,2-dimethyl-, 1,5-dimethyl esterDimethyl 22-dimethylpentanedioateSBB090780Dimethyl 2,2-dimethylpentanedioate #AKOS005073074HC-0746
Database identifiers
- CAS
13051-32-6- PubChem CID
- 83083
- DTXSID
DTXSID50156581- EC Number
- 235-928-7
- Nikkaji
- J635A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 117 · 117-119 °C(Press: 20 Torr)
- Density
- 1.022 · 1.022±0.06 g/cm3(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers24 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
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Related reactions
11 records
Compound notes
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