1-ethoxy-3-methylcyclobutane-1-carboxylic acid

C8H14O3 — CID 103565777

IUPAC1-ethoxy-3-methylcyclobutane-1-carboxylic acid
SMILESCCOC1(C(=O)O)CC(C)C1
InChIInChI=1S/C8H14O3/c1-3-11-8(7(9)10)4-6(2)5-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyFTAYJILYSYTGPE-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.28
Rot. Bonds3

About 1-ethoxy-3-methylcyclobutane-1-carboxylic acid

1-ethoxy-3-methylcyclobutane-1-carboxylic acid (PubChem CID 103565777) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-ethoxy-3-methylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-ethoxy-3-methylcyclobutane-1-carboxylic acid
PubChem CID103565777
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1-ethoxy-3-methylcyclobutane-1-carboxylic acid
SMILESCCOC1(C(=O)O)CC(C)C1
InChIInChI=1S/C8H14O3/c1-3-11-8(7(9)10)4-6(2)5-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyFTAYJILYSYTGPE-UHFFFAOYSA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid
CID 83226491
3-ethoxythietane-3-carboxylic acid
CID 115012767
4-ethoxyoxane-4-carboxylic acid
CID 78969464
1-(2-hydroxyethoxy)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 83224896
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one
CID 116749813
cyclobutyl-(1-ethoxy-3-methylcyclohexyl)methanone
CID 116749804
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749855
1-cyclopropyl-4-ethoxypiperidine-4-carboxylic acid
CID 105466777
1-(1-ethoxy-3-methylcyclohexyl)prop-2-en-1-one
CID 116749931
ethyl 1-ethoxy-4-methylcyclohexane-1-carboxylate
CID 129125852
1-(2-methoxyethoxy)-3-methylcyclohexane-1-carboxylic acid
CID 114989128
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone
CID 116749474

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-ethoxy-3-methylcyclobutane-1-carboxylic acid (CID 103565777) is 1-ethoxy-3-methylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-ethoxy-3-methylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-ethoxy-3-methylcyclobutane-1-carboxylic acid is CCOC1(C(=O)O)CC(C)C1.
What is the InChIKey of 1-ethoxy-3-methylcyclobutane-1-carboxylic acid?
The InChIKey is FTAYJILYSYTGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-11-8(7(9)10)4-6(2)5-8/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 1-ethoxy-3-methylcyclobutane-1-carboxylic acid?
1-ethoxy-3-methylcyclobutane-1-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 103565777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).