ethyl 4-acetyloxyhexanoate

C10H18O4 — CID 529297

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

About ethyl 4-acetyloxyhexanoate

ethyl 4-acetyloxyhexanoate (PubChem CID 529297) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 4-acetyloxyhexanoate.

Molecular Properties

Compound Nameethyl 4-acetyloxyhexanoate
PubChem CID529297
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 4-acetyloxyhexanoate
SMILESCCOC(=O)CCC(CC)OC(C)=O
InChIInChI=1S/C10H18O4/c1-4-9(14-8(3)11)6-7-10(12)13-5-2/h9H,4-7H2,1-3H3
InChIKeyRDFGSQMYUPDLEV-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

Ethyl hexanoate
CID 31265
gamma-Hexalactone
CID 12756
Diisopropyl Adipate
CID 23368
Pentyl Hexanoate
CID 10886
Diisobutyl Adipate
CID 8831
Propyl hexanoate
CID 12293
Dipropyl Adipate
CID 7790
Butyl hexanoate
CID 12294
Dibutyl Adipate
CID 7784
Diethyl Adipate
CID 8844
Dihexyl Adipate
CID 8046
Hexyl hexanoate
CID 22873

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyloxyhexanoate?
The IUPAC name of ethyl 4-acetyloxyhexanoate (CID 529297) is ethyl 4-acetyloxyhexanoate.
What is the SMILES notation for ethyl 4-acetyloxyhexanoate?
The canonical SMILES for ethyl 4-acetyloxyhexanoate is CCOC(=O)CCC(CC)OC(C)=O.
What is the InChIKey of ethyl 4-acetyloxyhexanoate?
The InChIKey is RDFGSQMYUPDLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-9(14-8(3)11)6-7-10(12)13-5-2/h9H,4-7H2,1-3H3.
What are the key properties of ethyl 4-acetyloxyhexanoate?
ethyl 4-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 4-acetyloxyhexanoate is sourced from PubChem (CID 529297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).