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

C9H16O4 — CID 105443019

IUPAC2-(3-ethoxyoxan-3-yl)acetic acid
SMILESCCOC1(CC(=O)O)CCCOC1
InChIInChI=1S/C9H16O4/c1-2-13-9(6-8(10)11)4-3-5-12-7-9/h2-7H2,1H3,(H,10,11)
InChIKeyMGZMBSUUOTUBTQ-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.05
Rot. Bonds4

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

2-(3-ethoxyoxan-3-yl)acetic acid (PubChem CID 105443019) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-(3-ethoxyoxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethoxyoxan-3-yl)acetic acid
PubChem CID105443019
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-(3-ethoxyoxan-3-yl)acetic acid
SMILESCCOC1(CC(=O)O)CCCOC1
InChIInChI=1S/C9H16O4/c1-2-13-9(6-8(10)11)4-3-5-12-7-9/h2-7H2,1H3,(H,10,11)
InChIKeyMGZMBSUUOTUBTQ-UHFFFAOYSA-N
XLogP1.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxyoxolan-3-yl)acetic acid
CID 105435742
2-(4-methoxyoxan-4-yl)acetic acid
CID 84654866
2-(3-aminooxan-3-yl)acetic acid
CID 64666864
2-(3-ethoxyoxolan-3-yl)acetaldehyde
CID 105430914
(3-ethoxyoxolan-3-yl)methanesulfinic acid
CID 115019891
2-(4-hydroxyoxepan-4-yl)acetic acid
CID 65081306
methyl 2-(1-ethoxycyclobutyl)acetate
CID 103272473
2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid
CID 105453579
2-[4-(ethylamino)oxepan-4-yl]acetic acid
CID 65234090
4-ethoxyoxane-4-carboxylic acid
CID 78969464
oxolane;propanoic acid
CID 162183532
ethyl 3-hydroxyoxane-3-carboxylate
CID 21336917

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyoxan-3-yl)acetic acid?
The IUPAC name of 2-(3-ethoxyoxan-3-yl)acetic acid (CID 105443019) is 2-(3-ethoxyoxan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-ethoxyoxan-3-yl)acetic acid?
The canonical SMILES for 2-(3-ethoxyoxan-3-yl)acetic acid is CCOC1(CC(=O)O)CCCOC1.
What is the InChIKey of 2-(3-ethoxyoxan-3-yl)acetic acid?
The InChIKey is MGZMBSUUOTUBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-2-13-9(6-8(10)11)4-3-5-12-7-9/h2-7H2,1H3,(H,10,11).
What are the key properties of 2-(3-ethoxyoxan-3-yl)acetic acid?
2-(3-ethoxyoxan-3-yl)acetic acid has a molecular weight of 188.22 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyoxan-3-yl)acetic acid is sourced from PubChem (CID 105443019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).