3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid

C10H16O3 — CID 114473272

IUPAC3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid
SMILESC=C(C)CCC1(C(=O)O)CCOC1
InChIInChI=1S/C10H16O3/c1-8(2)3-4-10(9(11)12)5-6-13-7-10/h1,3-7H2,2H3,(H,11,12)
InChIKeyBNIGGGOIFOXNJL-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.83
Rot. Bonds4

About 3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid

3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid (PubChem CID 114473272) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid
PubChem CID114473272
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid
SMILESC=C(C)CCC1(C(=O)O)CCOC1
InChIInChI=1S/C10H16O3/c1-8(2)3-4-10(9(11)12)5-6-13-7-10/h1,3-7H2,2H3,(H,11,12)
InChIKeyBNIGGGOIFOXNJL-UHFFFAOYSA-N
XLogP1.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylbut-3-enyl)cyclohexane-1-carboxylic acid
CID 114473263
3-ethyloxolane-3-carboxylic acid
CID 62740785
3-(2-ethylsulfonylethyl)oxolane-3-carboxylic acid
CID 62740969
3-dodecyloxolane-3-carboxylic acid
CID 63402957
3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
CID 106322960
1-[3-(hydroxymethyl)oxolan-3-yl]ethanone
CID 175513547
3-(methylsulfanylmethyl)oxolane-3-carboxylic acid
CID 84655667
3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid
CID 83817567
3-(3-phenylpropyl)oxolane-3-carboxylic acid
CID 62738542
3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid
CID 63774395
3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid
CID 165463327
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 79183754

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid?
The IUPAC name of 3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid (CID 114473272) is 3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid is C=C(C)CCC1(C(=O)O)CCOC1.
What is the InChIKey of 3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid?
The InChIKey is BNIGGGOIFOXNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(2)3-4-10(9(11)12)5-6-13-7-10/h1,3-7H2,2H3,(H,11,12).
What are the key properties of 3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid?
3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid has a molecular weight of 184.23 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 114473272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).