ethyl 2-acetyloxyhexanoate

C10H18O4 — CID 11745706

IUPACethyl 2-acetyloxyhexanoate
SMILESCCCCC(OC(C)=O)C(=O)OCC
InChIInChI=1S/C10H18O4/c1-4-6-7-9(14-8(3)11)10(12)13-5-2/h9H,4-7H2,1-3H3
InChIKeyCIKJUKOBXHEUEK-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.67
Rot. Bonds6

About ethyl 2-acetyloxyhexanoate

ethyl 2-acetyloxyhexanoate (PubChem CID 11745706) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-acetyloxyhexanoate.

Molecular Properties

Compound Nameethyl 2-acetyloxyhexanoate
PubChem CID11745706
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 2-acetyloxyhexanoate
SMILESCCCCC(OC(C)=O)C(=O)OCC
InChIInChI=1S/C10H18O4/c1-4-6-7-9(14-8(3)11)10(12)13-5-2/h9H,4-7H2,1-3H3
InChIKeyCIKJUKOBXHEUEK-UHFFFAOYSA-N
XLogP1.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 23368
Butyl Butyryllactate
CID 24114
Tricaproin
CID 12131
Isopropyl hexanoate
CID 16832
Sodium Stearoyl Lactylate
CID 23671849
2-Ethoxy-1-methyl-2-oxoethyl butyrate
CID 9815474
sec-Butyl hexanoate
CID 12284668
Propylene glycol dihexanoate
CID 349945
Bis(2-methoxyethyl) adipate
CID 66046
Sodium Lauroyl Lactylate
CID 23674328
Sodium Behenoyl Lactylate
CID 71587094
Sodium Caproyl Lactylate
CID 44147328

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyloxyhexanoate?
The IUPAC name of ethyl 2-acetyloxyhexanoate (CID 11745706) is ethyl 2-acetyloxyhexanoate.
What is the SMILES notation for ethyl 2-acetyloxyhexanoate?
The canonical SMILES for ethyl 2-acetyloxyhexanoate is CCCCC(OC(C)=O)C(=O)OCC.
What is the InChIKey of ethyl 2-acetyloxyhexanoate?
The InChIKey is CIKJUKOBXHEUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-6-7-9(14-8(3)11)10(12)13-5-2/h9H,4-7H2,1-3H3.
What are the key properties of ethyl 2-acetyloxyhexanoate?
ethyl 2-acetyloxyhexanoate has a molecular weight of 202.25 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyloxyhexanoate is sourced from PubChem (CID 11745706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).