2,2,3-triethyl-3-methoxycarbonylpentanoic acid

C13H24O4 — CID 171384079

IUPAC2,2,3-triethyl-3-methoxycarbonylpentanoic acid
SMILESCCC(CC)(C(=O)O)C(CC)(CC)C(=O)OC
InChIInChI=1S/C13H24O4/c1-6-12(7-2,10(14)15)13(8-3,9-4)11(16)17-5/h6-9H2,1-5H3,(H,14,15)
InChIKeyFHCUXACMTBTTDU-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.86
Rot. Bonds7

About 2,2,3-triethyl-3-methoxycarbonylpentanoic acid

2,2,3-triethyl-3-methoxycarbonylpentanoic acid (PubChem CID 171384079) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2,2,3-triethyl-3-methoxycarbonylpentanoic acid.

Molecular Properties

Compound Name2,2,3-triethyl-3-methoxycarbonylpentanoic acid
PubChem CID171384079
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2,2,3-triethyl-3-methoxycarbonylpentanoic acid
SMILESCCC(CC)(C(=O)O)C(CC)(CC)C(=O)OC
InChIInChI=1S/C13H24O4/c1-6-12(7-2,10(14)15)13(8-3,9-4)11(16)17-5/h6-9H2,1-5H3,(H,14,15)
InChIKeyFHCUXACMTBTTDU-UHFFFAOYSA-N
XLogP2.86
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3,3-tetraethylbutanedioic acid
CID 23424098
methyl 2,4-diethyl-4-methyl-2-(2-methylbutan-2-yl)hexanoate
CID 121299130
methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate
CID 88933353
6-ethyl-4-methoxycarbonyl-2-methyl-7-oxo-2,4,6-tris(triiodomethyl)octanoic acid
CID 59927347
(2R)-2-methoxycarbonyl-2-(methoxymethoxy)butanoic acid
CID 131850045
2-(difluoromethyl)-2-methoxycarbonylbutanoic acid
CID 175694660
methane;methyl 2,2-dimethylbutanoate
CID 161256043
2-ethyl-5-methoxy-2,4,4-trimethyl-5-oxopentanoic acid;methane
CID 159489060
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
2,2-di(butan-2-yl)-3-(2,2-dimethylpropyl)-3-methoxycarbonyl-5,5-dimethylhexanoic acid
CID 174993789
3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid;methyl 3-hydroxy-2,2-bis(hydroxymethyl)propanoate
CID 159574847
methane;methyl 2,2-dimethylbutanoate;molecular iodine
CID 158792911

Frequently Asked Questions

What is the IUPAC name of 2,2,3-triethyl-3-methoxycarbonylpentanoic acid?
The IUPAC name of 2,2,3-triethyl-3-methoxycarbonylpentanoic acid (CID 171384079) is 2,2,3-triethyl-3-methoxycarbonylpentanoic acid.
What is the SMILES notation for 2,2,3-triethyl-3-methoxycarbonylpentanoic acid?
The canonical SMILES for 2,2,3-triethyl-3-methoxycarbonylpentanoic acid is CCC(CC)(C(=O)O)C(CC)(CC)C(=O)OC.
What is the InChIKey of 2,2,3-triethyl-3-methoxycarbonylpentanoic acid?
The InChIKey is FHCUXACMTBTTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-6-12(7-2,10(14)15)13(8-3,9-4)11(16)17-5/h6-9H2,1-5H3,(H,14,15).
What are the key properties of 2,2,3-triethyl-3-methoxycarbonylpentanoic acid?
2,2,3-triethyl-3-methoxycarbonylpentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-triethyl-3-methoxycarbonylpentanoic acid is sourced from PubChem (CID 171384079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).