3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid

C11H20O4 — CID 114533764

IUPAC3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid
SMILESCCOCCCC1(C(=O)O)CCOC1C
InChIInChI=1S/C11H20O4/c1-3-14-7-4-5-11(10(12)13)6-8-15-9(11)2/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyDKSLWFCTTXSBRD-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.68
Rot. Bonds6

About 3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid

3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid (PubChem CID 114533764) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid
PubChem CID114533764
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid
SMILESCCOCCCC1(C(=O)O)CCOC1C
InChIInChI=1S/C11H20O4/c1-3-14-7-4-5-11(10(12)13)6-8-15-9(11)2/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyDKSLWFCTTXSBRD-UHFFFAOYSA-N
XLogP1.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyethyl)-2-methyloxolane-3-carboxylic acid
CID 114533650
2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxylic acid
CID 114533919
2-methyl-3-[2-(trifluoromethoxy)ethyl]oxolane-3-carboxylic acid
CID 114533932
2-methyl-3-(3-methylbutyl)oxolane-3-carboxylic acid
CID 114533698
2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid
CID 114533651
2-cyclopropyl-3-(3-methoxypropyl)oxolane-3-carboxylic acid
CID 104509353
2-methyl-3-(2-phenylethyl)oxolane-3-carboxylic acid
CID 114533705
1-(3-ethoxypropyl)-3-methylcyclopentane-1-carboxylic acid
CID 65401094
4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 107302079
N-(3-ethoxypropyl)-2,3-dimethyloxolan-3-amine
CID 103581457
2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid
CID 104509316
2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-3-carboxylic acid
CID 103005136

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid?
The IUPAC name of 3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid (CID 114533764) is 3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid?
The canonical SMILES for 3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid is CCOCCCC1(C(=O)O)CCOC1C.
What is the InChIKey of 3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid?
The InChIKey is DKSLWFCTTXSBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-14-7-4-5-11(10(12)13)6-8-15-9(11)2/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid?
3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid has a molecular weight of 216.28 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 3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 114533764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).