2-(4-hydroxyoxolan-3-yl)-3,3-dimethylbutanoic acid

C10H18O4 — CID 130502975

IUPAC2-(4-hydroxyoxolan-3-yl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)C1COCC1O
InChIInChI=1S/C10H18O4/c1-10(2,3)8(9(12)13)6-4-14-5-7(6)11/h6-8,11H,4-5H2,1-3H3,(H,12,13)
InChIKeySQRNZUSSNFENNQ-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.74
Rot. Bonds2

About 2-(4-hydroxyoxolan-3-yl)-3,3-dimethylbutanoic acid

2-(4-hydroxyoxolan-3-yl)-3,3-dimethylbutanoic acid (PubChem CID 130502975) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(4-hydroxyoxolan-3-yl)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(4-hydroxyoxolan-3-yl)-3,3-dimethylbutanoic acid
PubChem CID130502975
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-(4-hydroxyoxolan-3-yl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)C1COCC1O
InChIInChI=1S/C10H18O4/c1-10(2,3)8(9(12)13)6-4-14-5-7(6)11/h6-8,11H,4-5H2,1-3H3,(H,12,13)
InChIKeySQRNZUSSNFENNQ-UHFFFAOYSA-N
XLogP0.74
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(dicarboxymethyl)oxolan-3-yl]propanedioic acid
CID 174933603
diethyl 2-[(3R,4S)-4-hydroxyoxolan-3-yl]propanedioate
CID 139791909
4-butan-2-yloxolan-3-ol
CID 147418216
4-(1-aminopropyl)oxolan-3-ol
CID 55288646
tert-butyl-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamic acid
CID 45091996
tert-butyl (2S)-2-(3,3-dimethylbutanoylamino)-2-[(3S,4R)-4-hydroxyoxolan-3-yl]acetate
CID 162694834
3,3-dimethyl-2-(1-methylpiperidin-4-yl)butanoic acid
CID 116825069
tert-butyl 4-hydroxyoxolane-3-carboxylate
CID 11412816
(2S)-2-(oxetan-3-yloxy)propanoic acid
CID 103338261
2-[4-(2,2-dimethylpropyl)-2-oxooxolan-3-yl]-3,3-dimethylbutanoic acid
CID 118973516
3,3-dimethyl-2-[[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66266624
3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid
CID 69238948

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyoxolan-3-yl)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(4-hydroxyoxolan-3-yl)-3,3-dimethylbutanoic acid (CID 130502975) is 2-(4-hydroxyoxolan-3-yl)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(4-hydroxyoxolan-3-yl)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(4-hydroxyoxolan-3-yl)-3,3-dimethylbutanoic acid is CC(C)(C)C(C(=O)O)C1COCC1O.
What is the InChIKey of 2-(4-hydroxyoxolan-3-yl)-3,3-dimethylbutanoic acid?
The InChIKey is SQRNZUSSNFENNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-10(2,3)8(9(12)13)6-4-14-5-7(6)11/h6-8,11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-(4-hydroxyoxolan-3-yl)-3,3-dimethylbutanoic acid?
2-(4-hydroxyoxolan-3-yl)-3,3-dimethylbutanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyoxolan-3-yl)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 130502975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).