methyl 5-acetyloxyheptanoate

C10H18O4 — CID 14561756

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

About methyl 5-acetyloxyheptanoate

methyl 5-acetyloxyheptanoate (PubChem CID 14561756) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 5-acetyloxyheptanoate.

Molecular Properties

Compound Namemethyl 5-acetyloxyheptanoate
PubChem CID14561756
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethyl 5-acetyloxyheptanoate
SMILESCCC(CCCC(=O)OC)OC(C)=O
InChIInChI=1S/C10H18O4/c1-4-9(14-8(2)11)6-5-7-10(12)13-3/h9H,4-7H2,1-3H3
InChIKeyAJESJKFEDDPITP-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

delta-Decalactone
CID 12810
delta-UNDECALACTONE
CID 61204
delta-Dodecalactone
CID 12844
Delta-Nonalactone
CID 18698
delta-TETRADECALACTONE
CID 520296
Methyl 5-acetoxyhexanoate
CID 526152
5-Tridecanolide
CID 110977
Methyl 5-hydroxydecanoate
CID 14029718
Ethyl 5-acetoxyoctanoate
CID 118225
Ethyl 5-hydroxydecanoate
CID 13580494
Heptanoic acid, 1-methylethyl ester
CID 520710
Ethyl 5-hydroxyoctanoate
CID 6432923

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyloxyheptanoate?
The IUPAC name of methyl 5-acetyloxyheptanoate (CID 14561756) is methyl 5-acetyloxyheptanoate.
What is the SMILES notation for methyl 5-acetyloxyheptanoate?
The canonical SMILES for methyl 5-acetyloxyheptanoate is CCC(CCCC(=O)OC)OC(C)=O.
What is the InChIKey of methyl 5-acetyloxyheptanoate?
The InChIKey is AJESJKFEDDPITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-9(14-8(2)11)6-5-7-10(12)13-3/h9H,4-7H2,1-3H3.
What are the key properties of methyl 5-acetyloxyheptanoate?
methyl 5-acetyloxyheptanoate 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 methyl 5-acetyloxyheptanoate is sourced from PubChem (CID 14561756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).