(2R,4R)-8-ethoxy-2,4-dimethyl-8-oxooctanoic acid

C12H22O4 — CID 134963913

IUPAC(2R,4R)-8-ethoxy-2,4-dimethyl-8-oxooctanoic acid
SMILESCCOC(=O)CCC[C@@H](C)C[C@@H](C)C(=O)O
InChIInChI=1S/C12H22O4/c1-4-16-11(13)7-5-6-9(2)8-10(3)12(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyUQEDPKVHWSXUCV-NXEZZACHSA-N
MW230.30 g/mol
LogP2.47
Rot. Bonds8

About (2R,4R)-8-ethoxy-2,4-dimethyl-8-oxooctanoic acid

(2R,4R)-8-ethoxy-2,4-dimethyl-8-oxooctanoic acid (PubChem CID 134963913) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is (2R,4R)-8-ethoxy-2,4-dimethyl-8-oxooctanoic acid.

Molecular Properties

Compound Name(2R,4R)-8-ethoxy-2,4-dimethyl-8-oxooctanoic acid
PubChem CID134963913
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name(2R,4R)-8-ethoxy-2,4-dimethyl-8-oxooctanoic acid
SMILESCCOC(=O)CCC[C@@H](C)C[C@@H](C)C(=O)O
InChIInChI=1S/C12H22O4/c1-4-16-11(13)7-5-6-9(2)8-10(3)12(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyUQEDPKVHWSXUCV-NXEZZACHSA-N
XLogP2.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Anteisopentadecanoic Acid
CID 21672
Bis(2-ethylhexyl) azelate
CID 7642
(R)-(-)-2-propyloctanoic acid
CID 208925
4-Ethyloctanoic acid
CID 61840
13-Methyltetradecanoic Acid
CID 151014
4-Methylnonanoic acid
CID 62003
4-Methyloctanoic acid
CID 62089
8-Methyldecanoic acid
CID 21813
Di-2-ethylhexyl sebacate
CID 31218
8-Methylnonanoic acid
CID 111470
Isotetradecanoic acid
CID 520298
4-Methyldecanoic acid
CID 459849

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-8-ethoxy-2,4-dimethyl-8-oxooctanoic acid?
The IUPAC name of (2R,4R)-8-ethoxy-2,4-dimethyl-8-oxooctanoic acid (CID 134963913) is (2R,4R)-8-ethoxy-2,4-dimethyl-8-oxooctanoic acid.
What is the SMILES notation for (2R,4R)-8-ethoxy-2,4-dimethyl-8-oxooctanoic acid?
The canonical SMILES for (2R,4R)-8-ethoxy-2,4-dimethyl-8-oxooctanoic acid is CCOC(=O)CCC[C@@H](C)C[C@@H](C)C(=O)O.
What is the InChIKey of (2R,4R)-8-ethoxy-2,4-dimethyl-8-oxooctanoic acid?
The InChIKey is UQEDPKVHWSXUCV-NXEZZACHSA-N. The full InChI is InChI=1S/C12H22O4/c1-4-16-11(13)7-5-6-9(2)8-10(3)12(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-8-ethoxy-2,4-dimethyl-8-oxooctanoic acid?
(2R,4R)-8-ethoxy-2,4-dimethyl-8-oxooctanoic acid has a molecular weight of 230.30 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-8-ethoxy-2,4-dimethyl-8-oxooctanoic acid is sourced from PubChem (CID 134963913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).