Neopentyl pivalate

CAT: 1299-RG-E141092-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E141092-01Size:10 mg

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CAS Number

5340-26-1

Synonyms

Neopentyl pivalate

Molecular Formula

C10H20O2

Molecular Weight

172.27

Product Name Synonym

Neopentyl pivalate

Chemical Information

Neopentyl pivalate

CAS Number	5340-26-1
PubChem CID	219494
IUPAC Name	2,2-dimethylpropyl 2,2-dimethylpropanoate
Molecular Formula	C10H20O2
Molecular Weight	172.26
XLogP	3.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	158

SMILES

CC(C)(C)COC(=O)C(C)(C)C

InChI

InChI=1S/C10H20O2/c1-9(2,3)7-12-8(11)10(4,5)6/h7H2,1-6H3

InChIKey

KEVRVUAKQLMNFS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5340-26-1

CID: 219494

Formula: C10H20O2

MW: 172.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.26
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	158
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-T092401-01	Tixocortol Pivalate
RG-A260209-01	Iodomethyl Pivalate
RG-C081539-01	Chloromethyl Pivalate
RM-C201501-01	Clocortolone Pivalate
RM-F211500-01	Fluocortolone Pivalate
RM-F121700-01	Flumetasone Pivalate
RG-E140181-01	Methyl pivalate
RG-E140237-01	1-chloroethyl pivalate
RG-E140729-01	Neopentyl 4-methylbenzenesulfonate
RM-F121707-01	Flumetasone pivalate Impurity 7

Catalog	Name
OR1055127-01	Neopentyl Benzenesulfonate
OR460072-01	Neopentyl chloride
OR1099258-01	Neopentyl methanesulfonate
FZ167525	Zinc pivalate
FP168035-01	Potassium pivalate
AAA80848	Desoxycorticosterone pivalate
503002	CHLOROMETHYL PIVALATE
017938	Myrtenol Pivalate
T24888-01	Tixocortol pivalate
FI24620-01	Iodomethyl pivalate