4-ethoxyoxane-4-carboxylic acid

C8H14O4 — CID 78969464

IUPAC4-ethoxyoxane-4-carboxylic acid
SMILESCCOC1(C(=O)O)CCOCC1
InChIInChI=1S/C8H14O4/c1-2-12-8(7(9)10)3-5-11-6-4-8/h2-6H2,1H3,(H,9,10)
InChIKeyASMNPTLTDGSWEM-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.66
Rot. Bonds3

About 4-ethoxyoxane-4-carboxylic acid

4-ethoxyoxane-4-carboxylic acid (PubChem CID 78969464) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-ethoxyoxane-4-carboxylic acid.

Molecular Properties

Compound Name4-ethoxyoxane-4-carboxylic acid
PubChem CID78969464
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name4-ethoxyoxane-4-carboxylic acid
SMILESCCOC1(C(=O)O)CCOCC1
InChIInChI=1S/C8H14O4/c1-2-12-8(7(9)10)3-5-11-6-4-8/h2-6H2,1H3,(H,9,10)
InChIKeyASMNPTLTDGSWEM-UHFFFAOYSA-N
XLogP0.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

1-(4-ethoxyoxan-4-yl)-4-methoxybutan-1-one
CID 114854416
1-(4-ethoxyoxan-4-yl)-3-methylbut-2-en-1-one
CID 116748886
3-ethoxythietane-3-carboxylic acid
CID 115012767
ethyl 4-(4-ethoxyoxan-4-yl)-4-oxobutanoate
CID 116774928
1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one
CID 107896407
1-ethoxy-3-methylcyclobutane-1-carboxylic acid
CID 103565777
1-cyclopropyl-4-ethoxypiperidine-4-carboxylic acid
CID 105466777
1-(4-propoxyoxan-4-yl)propan-1-one
CID 83226055
2-(3-ethoxyoxolan-3-yl)acetic acid
CID 105435742
3-ethoxy-1-ethylpyrrolidine-3-carboxylic acid
CID 105442578
ethyl 2,2-bis(4-methyloxan-4-yl)acetate
CID 175344737
(3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116748922

Frequently Asked Questions

What is the IUPAC name of 4-ethoxyoxane-4-carboxylic acid?
The IUPAC name of 4-ethoxyoxane-4-carboxylic acid (CID 78969464) is 4-ethoxyoxane-4-carboxylic acid.
What is the SMILES notation for 4-ethoxyoxane-4-carboxylic acid?
The canonical SMILES for 4-ethoxyoxane-4-carboxylic acid is CCOC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-ethoxyoxane-4-carboxylic acid?
The InChIKey is ASMNPTLTDGSWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-2-12-8(7(9)10)3-5-11-6-4-8/h2-6H2,1H3,(H,9,10).
What are the key properties of 4-ethoxyoxane-4-carboxylic acid?
4-ethoxyoxane-4-carboxylic acid has a molecular weight of 174.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxyoxane-4-carboxylic acid is sourced from PubChem (CID 78969464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).