2-(3-ethoxyoxolan-3-yl)acetic acid

C8H14O4 — CID 105435742

IUPAC2-(3-ethoxyoxolan-3-yl)acetic acid
SMILESCCOC1(CC(=O)O)CCOC1
InChIInChI=1S/C8H14O4/c1-2-12-8(5-7(9)10)3-4-11-6-8/h2-6H2,1H3,(H,9,10)
InChIKeyADDFDWVMKNYMOG-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.66
Rot. Bonds4

About 2-(3-ethoxyoxolan-3-yl)acetic acid

2-(3-ethoxyoxolan-3-yl)acetic acid (PubChem CID 105435742) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(3-ethoxyoxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethoxyoxolan-3-yl)acetic acid
PubChem CID105435742
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-(3-ethoxyoxolan-3-yl)acetic acid
SMILESCCOC1(CC(=O)O)CCOC1
InChIInChI=1S/C8H14O4/c1-2-12-8(5-7(9)10)3-4-11-6-8/h2-6H2,1H3,(H,9,10)
InChIKeyADDFDWVMKNYMOG-UHFFFAOYSA-N
XLogP0.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxyoxan-3-yl)acetic acid
CID 105443019
2-(4-methoxyoxan-4-yl)acetic acid
CID 84654866
2-(3-ethoxyoxolan-3-yl)acetaldehyde
CID 105430914
(3-ethoxyoxolan-3-yl)methanesulfinic acid
CID 115019891
(3-ethoxyoxolan-3-yl)methanesulfinate
CID 115019890
[(3S)-3-ethoxyoxolan-3-yl]methanesulfonyl chloride
CID 125041432
4-ethoxyoxane-4-carboxylic acid
CID 78969464
2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid
CID 105453579
2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid
CID 105466778
(4-ethoxyoxan-4-yl)methanesulfinamide
CID 165452898
2-[4-(ethylamino)oxepan-4-yl]acetic acid
CID 65234090
2-(4-hydroxyoxepan-4-yl)acetic acid
CID 65081306

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyoxolan-3-yl)acetic acid?
The IUPAC name of 2-(3-ethoxyoxolan-3-yl)acetic acid (CID 105435742) is 2-(3-ethoxyoxolan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-ethoxyoxolan-3-yl)acetic acid?
The canonical SMILES for 2-(3-ethoxyoxolan-3-yl)acetic acid is CCOC1(CC(=O)O)CCOC1.
What is the InChIKey of 2-(3-ethoxyoxolan-3-yl)acetic acid?
The InChIKey is ADDFDWVMKNYMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-2-12-8(5-7(9)10)3-4-11-6-8/h2-6H2,1H3,(H,9,10).
What are the key properties of 2-(3-ethoxyoxolan-3-yl)acetic acid?
2-(3-ethoxyoxolan-3-yl)acetic acid has a molecular weight of 174.20 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyoxolan-3-yl)acetic acid is sourced from PubChem (CID 105435742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).