Heptyl heptanoate

CAT: 0127-OR1042811-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1042811-01Size:5 g

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

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CAS Number

624-09-9

Purity

96%

Smiles

CCCCCCCOC(=O)CCCCCC

Chemical Information

Heptyl heptanoate

Heptyl heptanoate is a fatty acid ester.

CAS Number	624-09-9
PubChem CID	69350
IUPAC Name	heptyl heptanoate
Molecular Formula	C14H28O2
Molecular Weight	228.37
XLogP	5.4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Heavy Atom Count	16
Formal Charge	0
Complexity	155

SMILES

CCCCCCCOC(=O)CCCCCC

InChI

InChI=1S/C14H28O2/c1-3-5-7-9-11-13-16-14(15)12-10-8-6-4-2/h3-13H2,1-2H3

InChIKey

QOIIBPAJVWFEPE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 624-09-9

CID: 69350

Formula: C14H28O2

MW: 228.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.37
XLogP3	5.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Exact Mass	228.208930132
Monoisotopic Mass	228.208930132
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	155
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
BUP06462	Ethyl heptanoate
OR1061242-01	Hexyl heptanoate
BUP13773-01	Propyl heptanoate
OR1015032-01	Sodium Heptanoate
OR1014844-01	Propyl heptanoate
OR1012236-01	Allyl Heptanoate
OR1043178-01	Octadecyl heptanoate
OR1013863	Methyl heptanoate
OR1013238-01	Ethyl Heptanoate
OR1043729	Cholesteryl Heptanoate (Enanthate)