4-hydroxy-2-methyl-4-(5-methyloxolan-2-yl)butanoic acid

C10H18O4 — CID 82839618

IUPAC4-hydroxy-2-methyl-4-(5-methyloxolan-2-yl)butanoic acid
SMILESCC1CCC(C(O)CC(C)C(=O)O)O1
InChIInChI=1S/C10H18O4/c1-6(10(12)13)5-8(11)9-4-3-7(2)14-9/h6-9,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyHYCYYQXKYDHNAZ-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.03
Rot. Bonds4

About 4-hydroxy-2-methyl-4-(5-methyloxolan-2-yl)butanoic acid

4-hydroxy-2-methyl-4-(5-methyloxolan-2-yl)butanoic acid (PubChem CID 82839618) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-4-(5-methyloxolan-2-yl)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-methyl-4-(5-methyloxolan-2-yl)butanoic acid
PubChem CID82839618
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name4-hydroxy-2-methyl-4-(5-methyloxolan-2-yl)butanoic acid
SMILESCC1CCC(C(O)CC(C)C(=O)O)O1
InChIInChI=1S/C10H18O4/c1-6(10(12)13)5-8(11)9-4-3-7(2)14-9/h6-9,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyHYCYYQXKYDHNAZ-UHFFFAOYSA-N
XLogP1.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-4-(5-methyloxolan-2-yl)butanoic acid?
The IUPAC name of 4-hydroxy-2-methyl-4-(5-methyloxolan-2-yl)butanoic acid (CID 82839618) is 4-hydroxy-2-methyl-4-(5-methyloxolan-2-yl)butanoic acid.
What is the SMILES notation for 4-hydroxy-2-methyl-4-(5-methyloxolan-2-yl)butanoic acid?
The canonical SMILES for 4-hydroxy-2-methyl-4-(5-methyloxolan-2-yl)butanoic acid is CC1CCC(C(O)CC(C)C(=O)O)O1.
What is the InChIKey of 4-hydroxy-2-methyl-4-(5-methyloxolan-2-yl)butanoic acid?
The InChIKey is HYCYYQXKYDHNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-6(10(12)13)5-8(11)9-4-3-7(2)14-9/h6-9,11H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-hydroxy-2-methyl-4-(5-methyloxolan-2-yl)butanoic acid?
4-hydroxy-2-methyl-4-(5-methyloxolan-2-yl)butanoic acid has a molecular weight of 202.25 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-4-(5-methyloxolan-2-yl)butanoic acid is sourced from PubChem (CID 82839618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).