4-oxopentanoate;pentanoate

C10H16O5-2 — CID 21431295

IUPAC4-oxopentanoate;pentanoate
SMILESCC(=O)CCC(=O)[O-].CCCCC(=O)[O-]
InChIInChI=1S/C5H8O3.C5H10O2/c1-4(6)2-3-5(7)8;1-2-3-4-5(6)7/h2-3H2,1H3,(H,7,8);2-4H2,1H3,(H,6,7)/p-2
InChIKeyYMRWSLPLQNNKLB-UHFFFAOYSA-L
MW216.23 g/mol
LogP-0.97
Rot. Bonds6

About 4-oxopentanoate;pentanoate

4-oxopentanoate;pentanoate (PubChem CID 21431295) has the molecular formula C10H16O5-2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 4-oxopentanoate;pentanoate.

Molecular Properties

Compound Name4-oxopentanoate;pentanoate
PubChem CID21431295
Molecular FormulaC10H16O5-2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name4-oxopentanoate;pentanoate
SMILESCC(=O)CCC(=O)[O-].CCCCC(=O)[O-]
InChIInChI=1S/C5H8O3.C5H10O2/c1-4(6)2-3-5(7)8;1-2-3-4-5(6)7/h2-3H2,1H3,(H,7,8);2-4H2,1H3,(H,6,7)/p-2
InChIKeyYMRWSLPLQNNKLB-UHFFFAOYSA-L
XLogP-0.97
TPSA97.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azanium tris(pentanoate)
CID 21124108
barium(2+);bis(pentanoate)
CID 14619942
tris(pentanoate);rhodium(3+)
CID 51036063
iodanium pentanoate
CID 87769963
gold(3+);tris(pentanoate)
CID 157094863
gallium tris(pentanoate)
CID 173230335
methylazanium;pentanoate
CID 87904000
copper bis(4-oxopentanoate)
CID 86599724
tris(4-oxopentanoate);vanadium
CID 157360073
diethyl(methyl)azanium;pentanoate
CID 87523267
dodecanoate;tin(2+);acetate
CID 157367656
formaldehyde;tris(4-oxopentanoate);rhodium(3+)
CID 22251172

Frequently Asked Questions

What is the IUPAC name of 4-oxopentanoate;pentanoate?
The IUPAC name of 4-oxopentanoate;pentanoate (CID 21431295) is 4-oxopentanoate;pentanoate.
What is the SMILES notation for 4-oxopentanoate;pentanoate?
The canonical SMILES for 4-oxopentanoate;pentanoate is CC(=O)CCC(=O)[O-].CCCCC(=O)[O-].
What is the InChIKey of 4-oxopentanoate;pentanoate?
The InChIKey is YMRWSLPLQNNKLB-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H8O3.C5H10O2/c1-4(6)2-3-5(7)8;1-2-3-4-5(6)7/h2-3H2,1H3,(H,7,8);2-4H2,1H3,(H,6,7)/p-2.
What are the key properties of 4-oxopentanoate;pentanoate?
4-oxopentanoate;pentanoate has a molecular weight of 216.23 g/mol, XLogP of -0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopentanoate;pentanoate is sourced from PubChem (CID 21431295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).