Butyl 6-hydroxyhexanoate

CAT: 0024-sc-460850Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-460850Size:1 g

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CAS Number

15545-98-9

Chemical Information

Butyl 6-hydroxyhexanoate

CAS Number	15545-98-9
PubChem CID	22352249
IUPAC Name	butyl 6-hydroxyhexanoate
Molecular Formula	C10H20O3
Molecular Weight	188.26
XLogP	1.7
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Heavy Atom Count	13
Formal Charge	0
Complexity	123

SMILES

CCCCOC(=O)CCCCCO

InChI

InChI=1S/C10H20O3/c1-2-3-9-13-10(12)7-5-4-6-8-11/h11H,2-9H2,1H3

InChIKey

CEQMDSFVFKDZCR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15545-98-9

CID: 22352249

Formula: C10H20O3

MW: 188.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.26
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	188.14124450
Monoisotopic Mass	188.14124450
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	123
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-215943	Tert-Butyl 6- (O-Phosphorylcholine) hydroxyhexanoate
sc-235023	Ethyl 6-hydroxyhexanoate
sc-215944	Tert-Butyl 6-[O- (2-Bromoethyl) phosphoryl) hydroxyhexanoate
sc-207330	Benzyl (2S) -2-carbobenzyloxyamino-6-hydroxyhexanoate
sc-353747A	Methyl 2- (benzoylamino) -6,6,6-trifluoro-5-hydroxyhexanoate
sc-353747	Methyl 2- (benzoylamino) -6,6,6-trifluoro-5-hydroxyhexanoate
sc-353746	Methyl 2- (benzoylamino) -6,6-difluoro-5-hydroxyhexanoate
sc-353746A	Methyl 2- (benzoylamino) -6,6-difluoro-5-hydroxyhexanoate
sc-280970	Methyl 3-Hydroxyhexanoate
sc-279091	Ethyl 3-hydroxyhexanoate

Catalog	Name
MBS6066635-01	Butyl 6-hydroxyhexanoate
GTR19243646-01	Tert-butyl 6-hydroxyhexanoate
B693670	tert-Butyl 6-(O-Phosphorylcholine)hydroxyhexanoate
005430	Tert-Butyl 6- (O-Phosphorylcholine) hydroxyhexanoate
263411-01	Tert-Butyl 6-[O- (2-bromoethyl) phosphoryl) hydroxyhexanoate
MBS6107917-01	tert-Butyl 6-[O-(2-Bromoethyl)phosphoryl)hydroxyhexanoate
OR1053139	Tert-Butyl 2- ((tert-butoxycarbonyl) amino) -6-hydroxyhexanoate
465775-01	S-tert-Butyl 2- ((tert-butoxycarbonyl) amino) -6-hydroxyhexanoate
TRC-B117823-50MG	(S)-tert-Butyl 2-((tert-butoxycarbonyl)amino)-6-hydroxyhexanoate
TRC-B942550-500MG	(2S,3S)-tert-Butyl 2-Azido-6-chloro-3-hydroxyhexanoate