ethyl 5-acetyloxyhexanoate

C10H18O4 — CID 529299

IUPACethyl 5-acetyloxyhexanoate
SMILESCCOC(=O)CCCC(C)OC(C)=O
InChIInChI=1S/C10H18O4/c1-4-13-10(12)7-5-6-8(2)14-9(3)11/h8H,4-7H2,1-3H3
InChIKeyCVPZALWMCZAWPB-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.67
Rot. Bonds6

About ethyl 5-acetyloxyhexanoate

ethyl 5-acetyloxyhexanoate (PubChem CID 529299) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 5-acetyloxyhexanoate.

Molecular Properties

Compound Nameethyl 5-acetyloxyhexanoate
PubChem CID529299
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 5-acetyloxyhexanoate
SMILESCCOC(=O)CCCC(C)OC(C)=O
InChIInChI=1S/C10H18O4/c1-4-13-10(12)7-5-6-8(2)14-9(3)11/h8H,4-7H2,1-3H3
InChIKeyCVPZALWMCZAWPB-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 6-acetyloxy-5-methylheptanoate
CID 91156988
[(2R,6R)-6-acetyloxyheptan-2-yl] acetate
CID 100950858
(5R)-5-acetyloxyhexanoic acid
CID 87649956
ethyl (5R)-5-acetyloxyundecanoate
CID 11173329
diethyl 3-methylheptanedioate
CID 121008602
diethyl 2-methylhexanedioate
CID 568427
hexan-2-yl acetate;methane
CID 159910641
2-acetyloxypropyl hexanoate
CID 130305079
diethyl hexanedioate
CID 160747628
pentacosan-2-yl acetate
CID 173416941
[(2R)-6-bromohexan-2-yl] acetate
CID 12619445
ethyl 5-ethylheptanoate
CID 57319942

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyloxyhexanoate?
The IUPAC name of ethyl 5-acetyloxyhexanoate (CID 529299) is ethyl 5-acetyloxyhexanoate.
What is the SMILES notation for ethyl 5-acetyloxyhexanoate?
The canonical SMILES for ethyl 5-acetyloxyhexanoate is CCOC(=O)CCCC(C)OC(C)=O.
What is the InChIKey of ethyl 5-acetyloxyhexanoate?
The InChIKey is CVPZALWMCZAWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-13-10(12)7-5-6-8(2)14-9(3)11/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 5-acetyloxyhexanoate?
ethyl 5-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 5-acetyloxyhexanoate is sourced from PubChem (CID 529299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).