(4R)-5-acetyloxy-4-methylpentanoic acid

C8H14O4 — CID 11041203

IUPAC(4R)-5-acetyloxy-4-methylpentanoic acid
SMILESCC(=O)OC[C@H](C)CCC(=O)O
InChIInChI=1S/C8H14O4/c1-6(3-4-8(10)11)5-12-7(2)9/h6H,3-5H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyOCLVCORVKBNFRN-ZCFIWIBFSA-N
MW174.20 g/mol
LogP1.05
Rot. Bonds5

About (4R)-5-acetyloxy-4-methylpentanoic acid

(4R)-5-acetyloxy-4-methylpentanoic acid (PubChem CID 11041203) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (4R)-5-acetyloxy-4-methylpentanoic acid.

Molecular Properties

Compound Name(4R)-5-acetyloxy-4-methylpentanoic acid
PubChem CID11041203
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(4R)-5-acetyloxy-4-methylpentanoic acid
SMILESCC(=O)OC[C@H](C)CCC(=O)O
InChIInChI=1S/C8H14O4/c1-6(3-4-8(10)11)5-12-7(2)9/h6H,3-5H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyOCLVCORVKBNFRN-ZCFIWIBFSA-N
XLogP1.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-acetyloxy-4-methylpentanoic acid?
The IUPAC name of (4R)-5-acetyloxy-4-methylpentanoic acid (CID 11041203) is (4R)-5-acetyloxy-4-methylpentanoic acid.
What is the SMILES notation for (4R)-5-acetyloxy-4-methylpentanoic acid?
The canonical SMILES for (4R)-5-acetyloxy-4-methylpentanoic acid is CC(=O)OC[C@H](C)CCC(=O)O.
What is the InChIKey of (4R)-5-acetyloxy-4-methylpentanoic acid?
The InChIKey is OCLVCORVKBNFRN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14O4/c1-6(3-4-8(10)11)5-12-7(2)9/h6H,3-5H2,1-2H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (4R)-5-acetyloxy-4-methylpentanoic acid?
(4R)-5-acetyloxy-4-methylpentanoic acid has a molecular weight of 174.20 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-acetyloxy-4-methylpentanoic acid is sourced from PubChem (CID 11041203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).