2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid

C14H24O4 — CID 103034811

IUPAC2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid
SMILESCOC(C)(C)CCC1(C(=O)O)CCOC1C1CC1
InChIInChI=1S/C14H24O4/c1-13(2,17-3)6-7-14(12(15)16)8-9-18-11(14)10-4-5-10/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyMPIOMNNMCLWUOA-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.46
Rot. Bonds6

About 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid

2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid (PubChem CID 103034811) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid
PubChem CID103034811
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid
SMILESCOC(C)(C)CCC1(C(=O)O)CCOC1C1CC1
InChIInChI=1S/C14H24O4/c1-13(2,17-3)6-7-14(12(15)16)8-9-18-11(14)10-4-5-10/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyMPIOMNNMCLWUOA-UHFFFAOYSA-N
XLogP2.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)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

2-cyclopropyl-3-(3-methoxypropyl)oxolane-3-carboxylic acid
CID 104509353
2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine
CID 103017197
2-cyclopropyl-3-(4-hydroxybutyl)oxolane-3-carboxylic acid
CID 104509164
2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
CID 106323012
2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid
CID 107704758
2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid
CID 104509316
2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid
CID 104509214
2-(3-methoxy-3-methylbutyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 103017588
2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid
CID 106930065
2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid
CID 104509322
2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid
CID 103136129
1-(3-methoxy-3-methylbutyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 103017597

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid (CID 103034811) is 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid is COC(C)(C)CCC1(C(=O)O)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid?
The InChIKey is MPIOMNNMCLWUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-13(2,17-3)6-7-14(12(15)16)8-9-18-11(14)10-4-5-10/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid?
2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid has a molecular weight of 256.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 103034811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).