(3R)-5-methoxy-3-methyl-5-oxopentanoic acid

C7H12O4 — CID 6999733

IUPAC(3R)-5-methoxy-3-methyl-5-oxopentanoic acid
SMILESCOC(=O)C[C@H](C)CC(=O)O
InChIInChI=1S/C7H12O4/c1-5(3-6(8)9)4-7(10)11-2/h5H,3-4H2,1-2H3,(H,8,9)/t5-/m1/s1
InChIKeyBYBMHSADRRMVHY-RXMQYKEDSA-N
MW160.17 g/mol
LogP0.66
Rot. Bonds4

About (3R)-5-methoxy-3-methyl-5-oxopentanoic acid

(3R)-5-methoxy-3-methyl-5-oxopentanoic acid (PubChem CID 6999733) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is (3R)-5-methoxy-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name(3R)-5-methoxy-3-methyl-5-oxopentanoic acid
PubChem CID6999733
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name(3R)-5-methoxy-3-methyl-5-oxopentanoic acid
SMILESCOC(=O)C[C@H](C)CC(=O)O
InChIInChI=1S/C7H12O4/c1-5(3-6(8)9)4-7(10)11-2/h5H,3-4H2,1-2H3,(H,8,9)/t5-/m1/s1
InChIKeyBYBMHSADRRMVHY-RXMQYKEDSA-N
XLogP0.66
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-methoxy-3-methyl-5-oxopentanoic acid?
The IUPAC name of (3R)-5-methoxy-3-methyl-5-oxopentanoic acid (CID 6999733) is (3R)-5-methoxy-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for (3R)-5-methoxy-3-methyl-5-oxopentanoic acid?
The canonical SMILES for (3R)-5-methoxy-3-methyl-5-oxopentanoic acid is COC(=O)C[C@H](C)CC(=O)O.
What is the InChIKey of (3R)-5-methoxy-3-methyl-5-oxopentanoic acid?
The InChIKey is BYBMHSADRRMVHY-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12O4/c1-5(3-6(8)9)4-7(10)11-2/h5H,3-4H2,1-2H3,(H,8,9)/t5-/m1/s1.
What are the key properties of (3R)-5-methoxy-3-methyl-5-oxopentanoic acid?
(3R)-5-methoxy-3-methyl-5-oxopentanoic acid has a molecular weight of 160.17 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methoxy-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 6999733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).