3-oxo-2,2-dipropylpentanoic acid

C11H20O3 — CID 175535849

IUPAC3-oxo-2,2-dipropylpentanoic acid
SMILESCCCC(CCC)(C(=O)O)C(=O)CC
InChIInChI=1S/C11H20O3/c1-4-7-11(8-5-2,10(13)14)9(12)6-3/h4-8H2,1-3H3,(H,13,14)
InChIKeyCZXIBDIIOXIORI-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.64
Rot. Bonds7

About 3-oxo-2,2-dipropylpentanoic acid

3-oxo-2,2-dipropylpentanoic acid (PubChem CID 175535849) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-oxo-2,2-dipropylpentanoic acid.

Molecular Properties

Compound Name3-oxo-2,2-dipropylpentanoic acid
PubChem CID175535849
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name3-oxo-2,2-dipropylpentanoic acid
SMILESCCCC(CCC)(C(=O)O)C(=O)CC
InChIInChI=1S/C11H20O3/c1-4-7-11(8-5-2,10(13)14)9(12)6-3/h4-8H2,1-3H3,(H,13,14)
InChIKeyCZXIBDIIOXIORI-UHFFFAOYSA-N
XLogP2.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

magnesium;2,2-dipropylpropanedioic acid;hydride
CID 174967790
2-carbonobromidoyl-2-propylpentanoic acid
CID 21328881
4-hydroxy-4-propylheptan-3-one
CID 4046813
CID 89270907
CID 89270907
2-(cyclobutylmethyl)-2-propylpropanedioic acid
CID 174560392
2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid
CID 22153533
calcium;2-dodecyl-2-heptylpropanedioic acid;hydride
CID 174968518
(2S)-2-(2-amino-2-oxoethyl)-2-(methylcarbamoyl)pentanoic acid
CID 172718886
2-ethyl-2-propanoylpropanedioic acid
CID 175438827
2-(2-methylundecyl)-2-propanoyltridecanedioic acid
CID 122432169
2-ethoxycarbonyl-5,5,5-trifluoro-2-propylpentanoic acid
CID 103974106
magnesium;2-decyl-2-dodecylpropanedioic acid;hydride
CID 174968666

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2,2-dipropylpentanoic acid?
The IUPAC name of 3-oxo-2,2-dipropylpentanoic acid (CID 175535849) is 3-oxo-2,2-dipropylpentanoic acid.
What is the SMILES notation for 3-oxo-2,2-dipropylpentanoic acid?
The canonical SMILES for 3-oxo-2,2-dipropylpentanoic acid is CCCC(CCC)(C(=O)O)C(=O)CC.
What is the InChIKey of 3-oxo-2,2-dipropylpentanoic acid?
The InChIKey is CZXIBDIIOXIORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-7-11(8-5-2,10(13)14)9(12)6-3/h4-8H2,1-3H3,(H,13,14).
What are the key properties of 3-oxo-2,2-dipropylpentanoic acid?
3-oxo-2,2-dipropylpentanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2,2-dipropylpentanoic acid is sourced from PubChem (CID 175535849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).