2-pentyl-1,3-propanediol

CAT: 0127-OR28235-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR28235-01Size:5 g

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CAS Number

25462-23-1

MDL Number

MFCD00801123

Purity

97%

Smiles

CCCCCC (CO) CO

Chemical Information

2-Pentyl-1,3-propanediol

CAS Number	25462-23-1
PubChem CID	117509
IUPAC Name	2-pentylpropane-1,3-diol
Molecular Formula	C8H18O2
Molecular Weight	146.23
XLogP	1.6
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	10
Formal Charge	0
Complexity	60

SMILES

CCCCCC(CO)CO

InChI

InChI=1S/C8H18O2/c1-2-3-4-5-8(6-9)7-10/h8-10H,2-7H2,1H3

InChIKey

RHYUFGNCUXTFTC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25462-23-1

CID: 117509

Formula: C8H18O2

MW: 146.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	146.23
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	146.130679813
Monoisotopic Mass	146.130679813
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	60.3
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
OR1030714-01	2-Methyl-1,3-Propanediol
OR950750-01	3-Allyloxy-1,2-propanediol
PC409017	3-Fluoro-1,2-propanediol
OR920067-01	2-Benzyloxy-1,3-propanediol
OR1037251-01	2-Chloro-1,3-propanediol
OR28238-01	2-butyl-1,3-propanediol
OR1010706-01	3- (Isopropylamino) -1,2-Propanediol
OR75246	2-Methyl-1,3-propanediol
OR1010975-01	3-Ethoxy-1,2-Propanediol
OR1011059-01	3-Phenoxy-1,2-propanediol

Catalog	Name
FB19045-01	2-Bromo-1,3-propanediol
262447-01	2-Benzyloxy-1,3-propanediol
425426-01	3-Ethoxy-1,2-propanediol
423204-01	3- (Diphenylmethoxy) -1,2-propanediol
283262-01	3-Methylamino-1,2-propanediol
006624	3-Chloro-1,2-propanediol
004967-01	3-Bromo-1,2-propanediol
TRC-C379690-25MG	2-Chloro-1,3-Propanediol
TRC-D491705-500MG	3-(Diphenylmethoxy)-1,2-propanediol
TRC-D461700-50G	3-(Dimethylamino)-1,2-propanediol