2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid

C13H20O4 — CID 106930065

IUPAC2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(COCC2CC2)CCOC1C1CC1
InChIInChI=1S/C13H20O4/c14-12(15)13(8-16-7-9-1-2-9)5-6-17-11(13)10-3-4-10/h9-11H,1-8H2,(H,14,15)
InChIKeyYTTSSEQVHAOILM-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.68
Rot. Bonds6

About 2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid

2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid (PubChem CID 106930065) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid
PubChem CID106930065
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(COCC2CC2)CCOC1C1CC1
InChIInChI=1S/C13H20O4/c14-12(15)13(8-16-7-9-1-2-9)5-6-17-11(13)10-3-4-10/h9-11H,1-8H2,(H,14,15)
InChIKeyYTTSSEQVHAOILM-UHFFFAOYSA-N
XLogP1.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(phenylmethoxymethyl)oxolane-3-carboxylic acid
CID 102940040
2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
CID 106323012
2-cyclopropyl-3-(4-hydroxybutyl)oxolane-3-carboxylic acid
CID 104509164
2-cyclopropyl-3-(3-methoxypropyl)oxolane-3-carboxylic acid
CID 104509353
2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid
CID 107704758
2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid
CID 103034811
2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid
CID 104509214
2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid
CID 103136129
2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid
CID 104509316
3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid
CID 106930033
2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid
CID 104509322
2-(cyclopropylmethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 106930023

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid (CID 106930065) is 2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid is O=C(O)C1(COCC2CC2)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid?
The InChIKey is YTTSSEQVHAOILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c14-12(15)13(8-16-7-9-1-2-9)5-6-17-11(13)10-3-4-10/h9-11H,1-8H2,(H,14,15).
What are the key properties of 2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid?
2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 106930065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).