1-Methylethyl 3-hydroxynonanoate

CAT: 0127-OR1092655-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1092655-01Size:250 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

52411-66-2

MDL Number

MFCD34876914

Purity

95%

Smiles

C (C (=O) OC (C) C) C (CCCCCC) O

Chemical Information

1-Methylethyl 3-hydroxynonanoate

CAS Number	52411-66-2
PubChem CID	171366769
IUPAC Name	propan-2-yl 3-hydroxynonanoate
Molecular Formula	C12H24O3
Molecular Weight	216.32
XLogP	3.1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Heavy Atom Count	15
Formal Charge	0
Complexity	166

SMILES

CCCCCCC(CC(=O)OC(C)C)O

InChI

InChI=1S/C12H24O3/c1-4-5-6-7-8-11(13)9-12(14)15-10(2)3/h10-11,13H,4-9H2,1-3H3

InChIKey

JRCSLGPCUUBRRL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52411-66-2

CID: 171366769

Formula: C12H24O3

MW: 216.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.32
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	216.17254462
Monoisotopic Mass	216.17254462
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	166
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP11410-01	Methyl 3-hydroxynonanoate
OR1025414-01	Methyl 3-Hydroxynonanoate
OR1097743-01	Ethyl 3-hydroxynonanoate
OR1013853-01	Methyl 9-Hydroxynonanoate
OR1087954-01	1- (1-Methylethyl) -3-[ (1-methylethyl) thio]benzene
OR1082823-01	3- (1-Methylethyl) -α, α-diphenylbenzenemethanol
OR1082313-01	3- (1-Methylethyl) -α-propylbenzenemethanol
OR1052440-01	Tert-Butyl 9-hydroxynonanoate
OR1083670-01	α, α-Diethyl-3- (1-methylethyl) benzenemethanol
OR1087829-01	α-Ethenyl-3- (1-methylethyl) benzenemethanol

Catalog	Name
GTR19270963-01	1- (2,3-dihydroxypropoxy) -1-oxononan-3-yl 3-hydroxynonanoate
MBS5779990	Benzeneethanol, 3-(1-methylethyl)-
T30357-01	Benzeneethanol, 3- (1-methylethyl) -
JH917153	3- (1-Methylethyl) -4-nitrobenzenamine
TRC-A107160-100MG	3-(1-Amino-1-methylethyl)phenol
408479-01	1-[ (1-Methylethyl) amino]-3-[4-[[ (1-methylethyl) imino]methyl]phenoxy]-2-propanol
TRC-M265480-100MG	1-[(1-Methylethyl)amino]-3-[4-[[(1-methylethyl)imino]methyl]phenoxy]-2-propanol
EBA06823-01	3- (1-Methylethyl) -5 (4H) -isoxazolone
TRC-D474780-500MG	3,4-Dimethoxy-a-(1-methylethyl)benzeneacetonitrile
ID145567-01	3,4-Dimethoxy-a- (1-methylethyl) benzeneacetonitrile