Pentan-3-yl dodecanoate

CAT: 0127-OR1052722-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1052722-01Size:250 mg

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CAS Number

2387811-73-4

Purity

95%

Smiles

O=C(OC(CC)CC)CCCCCCCCCCC

Chemical Information

Pentan-3-yl dodecanoate

CAS Number	2387811-73-4
PubChem CID	153526377
IUPAC Name	pentan-3-yl dodecanoate
Molecular Formula	C17H34O2
Molecular Weight	270.5
XLogP	7.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Heavy Atom Count	19
Formal Charge	0
Complexity	197

SMILES

CCCCCCCCCCCC(=O)OC(CC)CC

InChI

InChI=1S/C17H34O2/c1-4-7-8-9-10-11-12-13-14-15-17(18)19-16(5-2)6-3/h16H,4-15H2,1-3H3

InChIKey

IUKYRBYHFKOSGM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2387811-73-4

CID: 153526377

Formula: C17H34O2

MW: 270.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	270.5
XLogP3	7.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Exact Mass	270.255880323
Monoisotopic Mass	270.255880323
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	197
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
OR1048528-01	Pentan-3-yl tetradecanoate
OR1052284-01	1,3-Dioxoisoindolin-2-yl dodecanoate
BUP13710-01	Pentyl dodecanoate
OR1004503	4- (Pentan-3-yl) aniline
OR1022334	Pentan-3-yl (propan-2-yl) amine
OR1076446-01	1- (Pentan-3-yl) piperazine dihydrochloride
OR1022275	Methyl (pentan-3-yl) amine hydrochloride
OR1049381-01	(2-Aminoethyl) (pentan-3-yl) amine
OR1098028-01	1-bromo-3- (pentan-3-yl) benzene
OR97108	Pentan-2-yl acetate

Catalog	Name
RG-A263565-01	1,3-Dihydroxypropan-2-Yl Dodecanoate
RM-O050312-01	1-Hydroxypropan-2-Yl Dodecanoate
TCL-00002-01	2,5-Dioxopyrrolidin-1-yl dodecanoate
JH105078	[7-[4-[4- (2,3-dichlorophenyl) piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl dodecanoate
GTR19278978-01	5- (acetyloxy) -6-[ (acetyloxy) methyl]-4- (decanoyloxy) -2- (2,3,4-trihydroxybutoxy) oxan-3-yl dodecanoate
TRC-B588692-5MG	1,3:2,4-Bis-O-[(4-methylphenyl)methylene]-D-glucitol 1-Dodecanoate-d22
411229	1,3:2,4-Bis-O-[ (4-methylphenyl) methylene]-D-glucitol 1-Dodecanoate-d22
AR-P30743-01	Pentan-3-yl Trifluoromethanesulfonate
JH332786	Pentan-3-yl hexanoate
RG-P051424-01	Pentan-3-Yl Methanesulfonate