1-(ethoxymethyl)cyclobutane-1-carboxylic acid

C8H14O3 — CID 97033935

IUPAC1-(ethoxymethyl)cyclobutane-1-carboxylic acid
SMILESCCOCC1(C(=O)O)CCC1
InChIInChI=1S/C8H14O3/c1-2-11-6-8(7(9)10)4-3-5-8/h2-6H2,1H3,(H,9,10)
InChIKeyJMBKVZZRFSGOMB-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.28
Rot. Bonds4

About 1-(ethoxymethyl)cyclobutane-1-carboxylic acid

1-(ethoxymethyl)cyclobutane-1-carboxylic acid (PubChem CID 97033935) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(ethoxymethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethoxymethyl)cyclobutane-1-carboxylic acid
PubChem CID97033935
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1-(ethoxymethyl)cyclobutane-1-carboxylic acid
SMILESCCOCC1(C(=O)O)CCC1
InChIInChI=1S/C8H14O3/c1-2-11-6-8(7(9)10)4-3-5-8/h2-6H2,1H3,(H,9,10)
InChIKeyJMBKVZZRFSGOMB-UHFFFAOYSA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-1-(ethoxymethyl)cyclohexane-1-carboxylic acid
CID 103984143
cyclobutane-1,1-dicarboxylic acid;ethoxyethane
CID 174756320
1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43529686
benzene;1-[[4-[(cyclopropylamino)methyl]-4-(ethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 144903336
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512
1-(2-ethoxyethyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 65390385
1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid
CID 54082256
1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971
1-(iodomethyl)cyclobutane-1-carboxylic acid
CID 130873802
1-[(methoxyamino)methyl]cyclopentane-1-carboxylic acid
CID 23530558
1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115246423
ethyl 1-(bromomethyl)cyclobutane-1-carboxylate
CID 127263900

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(ethoxymethyl)cyclobutane-1-carboxylic acid (CID 97033935) is 1-(ethoxymethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(ethoxymethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(ethoxymethyl)cyclobutane-1-carboxylic acid is CCOCC1(C(=O)O)CCC1.
What is the InChIKey of 1-(ethoxymethyl)cyclobutane-1-carboxylic acid?
The InChIKey is JMBKVZZRFSGOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-11-6-8(7(9)10)4-3-5-8/h2-6H2,1H3,(H,9,10).
What are the key properties of 1-(ethoxymethyl)cyclobutane-1-carboxylic acid?
1-(ethoxymethyl)cyclobutane-1-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 97033935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).