2,2-Dimethylpropane-1,3-Diol

CAT: 1299-RG-D091302-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-D091302-01Size:10 mg

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CAS Number

126-30-7

Synonyms

2,2-dimethylpropane-1,3-diol

Molecular Formula

C5H12O2

Molecular Weight

104.15

Product Name Synonym

2,2-dimethylpropane-1,3-diol

Chemical Information

Neopentyl glycol

Neopentyl glycol is a propane-1,3-diol carrying two methyl groups at position 2.

CAS Number	126-30-7
PubChem CID	31344
IUPAC Name	2,2-dimethylpropane-1,3-diol
Molecular Formula	C5H12O2
Molecular Weight	104.15
XLogP	0
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	44

SMILES

CC(C)(CO)CO

InChI

InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3

InChIKey

SLCVBVWXLSEKPL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 126-30-7

CID: 31344

Formula: C5H12O2

MW: 104.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	104.15
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	104.083729621
Monoisotopic Mass	104.083729621
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	44
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
RG-D090303-01	1,3-Dichloro-2,2-Dimethylpropane
RG-B201900-01	1,3-Bis (Tosyloxy) -2,2-Dimethylpropane
RG-C081281-01	2-Chloropropane-1,3-Diol
RG-A262031-01	2-Aminopropane-1,3-Diol
RG-E242604-01	2-methylpentane-1,3-diol
RG-P022845-01	3-Chlorobenzene-1,2-Diol
RG-A262593-01	2-Phenylpropane-1,3-Diol
RG-A263602-01	3-mercaptopropane-1,2-diol
RG-E200861-01	2-Ethylhexane-1,3-Diol
RG-A262402-01	3-Phenoxypropane-1,2-Diol

Catalog	Name
TN9565-01	2,2-Dimethylpropane-1,3-diol
OR311294-01	(1R) -1- (2-Chlorophenyl) -2,2-dimethylpropane-1,3-diol
OR311296-01	(1R) -1- (2-Methoxyphenyl) -2,2-dimethylpropane-1,3-diol
OR311297	(1S) -1- (2-methoxyphenyl) -2,2-dimethylpropane-1,3-diol
OR311295	(1S) -1- (2-chlorophenyl) -2,2-dimethylpropane-1,3-diol
OR94397-01	1,3-Dibromo-2,2-dimethylpropane
sc-263421	Isoquinoline-4-boronic acid, 2,2-dimethylpropane-1,3-diol cyclic ester
OR4925-01	2,2-Dimethylpropane-1,3-diamine
JJC31786-01	3-Methoxy-2,2-dimethylpropane-1-sulfonamide
sc-237482	1-Bromo-2,2-dimethylpropane