Isopropyl 3-hydroxyheptanoate

CAT: 0127-OR1096782-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1096782-01Size:250 mg

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CAS Number

1350516-79-8

MDL Number

MFCD34874519

Purity

95%

Smiles

C (C (=O) OC (C) C) C (CCCC) O

Chemical Information

Isopropyl 3-hydroxyheptanoate

CAS Number	1350516-79-8
PubChem CID	135070644
IUPAC Name	propan-2-yl 3-hydroxyheptanoate
Molecular Formula	C10H20O3
Molecular Weight	188.26
XLogP	2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	13
Formal Charge	0
Complexity	143

SMILES

CCCCC(CC(=O)OC(C)C)O

InChI

InChI=1S/C10H20O3/c1-4-5-6-9(11)7-10(12)13-8(2)3/h8-9,11H,4-7H2,1-3H3

InChIKey

UFCKWNZYUKPKQU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1350516-79-8

CID: 135070644

Formula: C10H20O3

MW: 188.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.26
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	188.14124450
Monoisotopic Mass	188.14124450
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	143
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
OR1099236-01	Methyl 3-hydroxyheptanoate
OR1099029	Ethyl 3-hydroxyheptanoate
OR1099489-01	Isopropyl 3-hydroxyhexanoate
OR1098754-01	Isopropyl 3-hydroxypentanoate
OR1072333-01	Ethyl 7-hydroxyheptanoate
OR94273-01	Methyl 7-hydroxyheptanoate
OR1091490-01	Isopropyl 4-ethyl-3-hydroxyhexanoate
OR93085-01	Tert-Butyl 7-hydroxyheptanoate
OR1091138-01	Isopropyl (3-isopropyl-4-methoxyphenyl) sulfane
OR952106-01	Isopropyl 3-aminocrotonate

Catalog	Name
RG-A130936-01	Isopropyl 3-Aminobenzenesulfonate
sc-351803A	Isopropyl 3-aminopropanoate
TRC-I824030-1G	Isopropyl 3-Aminocrotonate
TRC-I872908-2.5G	Isopropyl 3-Mercaptopropionate
RG-P022599-01	Isopropyl 3-Nitrobenzenesulfonate
452645-01	Isopropyl 3-cyanobenzoate
sc-328002	Isopropyl 3-hydroxybenzoate
sc-351802	Isopropyl 3-amino-3-thioxopropanoate
NAA43136	4-Isopropyl-3-thiosemicarbazide
QAA98681-01	2-Isopropyl-3-methylpyrazine