5-propanoyloxyheptanoic acid

C10H18O4 — CID 122451492

IUPAC5-propanoyloxyheptanoic acid
SMILESCCC(=O)OC(CC)CCCC(=O)O
InChIInChI=1S/C10H18O4/c1-3-8(14-10(13)4-2)6-5-7-9(11)12/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyFZOOLWNEHMYFIV-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.97
Rot. Bonds7

About 5-propanoyloxyheptanoic acid

5-propanoyloxyheptanoic acid (PubChem CID 122451492) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 5-propanoyloxyheptanoic acid.

Molecular Properties

Compound Name5-propanoyloxyheptanoic acid
PubChem CID122451492
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name5-propanoyloxyheptanoic acid
SMILESCCC(=O)OC(CC)CCCC(=O)O
InChIInChI=1S/C10H18O4/c1-3-8(14-10(13)4-2)6-5-7-9(11)12/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyFZOOLWNEHMYFIV-UHFFFAOYSA-N
XLogP1.97
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-icosanoyloxyheptanoic acid
CID 138303172
5-hexan-3-yloxy-5-oxopentanoic acid
CID 87743256
6-nonan-3-yloxy-6-oxohexanoic acid
CID 88691174
12-heptadecanoyloxytetradecanoic acid
CID 133049066
7-oxo-7-undecan-3-yloxyheptanoic acid
CID 164591298
13-tetradecanoyloxypentadecanoic acid
CID 133048378
15-octadecanoyloxyheptadecanoic acid
CID 133049342
phenyl 5-propanoyloxyheptanoate
CID 174985863
5-[(Z)-tetradec-9-enoyl]oxyheptanoic acid
CID 138129243
5-[(Z)-tetracos-13-enoyl]oxyheptanoic acid
CID 138170609
4-hexan-3-yloxy-4-oxobutanoic acid
CID 87375600
4-hexanoyloxyhexanoic acid
CID 91375951

Frequently Asked Questions

What is the IUPAC name of 5-propanoyloxyheptanoic acid?
The IUPAC name of 5-propanoyloxyheptanoic acid (CID 122451492) is 5-propanoyloxyheptanoic acid.
What is the SMILES notation for 5-propanoyloxyheptanoic acid?
The canonical SMILES for 5-propanoyloxyheptanoic acid is CCC(=O)OC(CC)CCCC(=O)O.
What is the InChIKey of 5-propanoyloxyheptanoic acid?
The InChIKey is FZOOLWNEHMYFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-8(14-10(13)4-2)6-5-7-9(11)12/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 5-propanoyloxyheptanoic acid?
5-propanoyloxyheptanoic acid has a molecular weight of 202.25 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propanoyloxyheptanoic acid is sourced from PubChem (CID 122451492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).