Alpha, alpha-Dimethyl-gamma-butyrolactone

CAT: 0024-sc-485153Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-485153Size:5 g

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CAS Number

3709-08-8

Chemical Information

2,2-Dimethyl-4-butyrolactone

structure given in first source

CAS Number	3709-08-8
PubChem CID	94746
IUPAC Name	3,3-dimethyloxolan-2-one
Molecular Formula	C6H10O2
Molecular Weight	114.14
XLogP	1.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	116

SMILES

CC1(CCOC1=O)C

InChI

InChI=1S/C6H10O2/c1-6(2)3-4-8-5(6)7/h3-4H2,1-2H3

InChIKey

UPVAIJPDWVTFKT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3709-08-8

CID: 94746

Formula: C6H10O2

MW: 114.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.14
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	114.068079557
Monoisotopic Mass	114.068079557
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	116
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
sc-486885	Alpha-Heptyl-gamma-butyrolactone
sc-358032	Alpha- (Trifluoromethyl) -gamma-butyrolactone
sc-358032A	Alpha- (Trifluoromethyl) -gamma-butyrolactone
sc-278688	Alpha-acetyl-alpha-methyl-gamma-butyrolactone
sc-236648	(R) -��-Acryloyloxy-β, β-dimethyl-γ-butyrolactone
sc-239822C	DL-α-Hydroxy-β, β-dimethyl-γ-butyrolactone
sc-239822	DL-α-Hydroxy-β, β-dimethyl-γ-butyrolactone
sc-239822B	DL-α-Hydroxy-β, β-dimethyl-γ-butyrolactone
sc-239822A	DL-α-Hydroxy-β, β-dimethyl-γ-butyrolactone
sc-272245	(R) -3-Hydroxy-gamma-butyrolactone

Catalog	Name
OR920353	Alpha, alpha-dimethyl-gamma-butyrolactone
TRC-B443818-100MG	Alpha-Hydroxy-Gamma-butyrolactone
TRC-B682070-10G	Alpha-Bromo-Gamma-butyrolactone
OR925269	Alpha-hexyl-gamma-butyrolactone
OR55456-01	Alpha-Methyl-gamma-butyrolactone
OR928542-01	Alpha-Methylene-gamma-butyrolactone
OR1013051-01	DL-alpha-Hydroxy-beta, beta-Dimethyl-gamma-Butyrolactone
PC0895	Gamma-methyl-alpha- (trifluoromethyl) -gamma-butyrolactone
PC6079	Gamma-Phenyl-alpha- (trifluoromethyl) -gamma-butyrolactone
OR315289	(R) -alpha-Hydroxy-gamma-butyrolactone