2-(2-cyclobutylethoxymethyl)prop-2-enoic acid

C10H16O3 — CID 106199338

IUPAC2-(2-cyclobutylethoxymethyl)prop-2-enoic acid
SMILESC=C(COCCC1CCC1)C(=O)O
InChIInChI=1S/C10H16O3/c1-8(10(11)12)7-13-6-5-9-3-2-4-9/h9H,1-7H2,(H,11,12)
InChIKeyMKUKITNBSBMNGP-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.83
Rot. Bonds6

About 2-(2-cyclobutylethoxymethyl)prop-2-enoic acid

2-(2-cyclobutylethoxymethyl)prop-2-enoic acid (PubChem CID 106199338) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxymethyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(2-cyclobutylethoxymethyl)prop-2-enoic acid
PubChem CID106199338
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-(2-cyclobutylethoxymethyl)prop-2-enoic acid
SMILESC=C(COCCC1CCC1)C(=O)O
InChIInChI=1S/C10H16O3/c1-8(10(11)12)7-13-6-5-9-3-2-4-9/h9H,1-7H2,(H,11,12)
InChIKeyMKUKITNBSBMNGP-UHFFFAOYSA-N
XLogP1.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-cyclobutylethoxy)acetate
CID 106199331
methyl 3-(2-cyclobutylethoxy)propanoate
CID 106199365
2-(2-phosphonoethoxymethyl)prop-2-enoic acid
CID 18318768
(2Z)-2-[2-(2-cyclohexylethoxy)ethylhydrazinylidene]propanoic acid
CID 88728656
4-(2-cyclobutylethoxymethyl)benzoic acid
CID 106199345
2-(2-phosphonooxyethoxymethyl)prop-2-enoic acid
CID 23152156
2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid
CID 106204685
3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 106204568
3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid
CID 106204662
4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid
CID 106204533
1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one
CID 106203288
2-(2-cyclobutylethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 106203300

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxymethyl)prop-2-enoic acid?
The IUPAC name of 2-(2-cyclobutylethoxymethyl)prop-2-enoic acid (CID 106199338) is 2-(2-cyclobutylethoxymethyl)prop-2-enoic acid.
What is the SMILES notation for 2-(2-cyclobutylethoxymethyl)prop-2-enoic acid?
The canonical SMILES for 2-(2-cyclobutylethoxymethyl)prop-2-enoic acid is C=C(COCCC1CCC1)C(=O)O.
What is the InChIKey of 2-(2-cyclobutylethoxymethyl)prop-2-enoic acid?
The InChIKey is MKUKITNBSBMNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(10(11)12)7-13-6-5-9-3-2-4-9/h9H,1-7H2,(H,11,12).
What are the key properties of 2-(2-cyclobutylethoxymethyl)prop-2-enoic acid?
2-(2-cyclobutylethoxymethyl)prop-2-enoic acid has a molecular weight of 184.23 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxymethyl)prop-2-enoic acid is sourced from PubChem (CID 106199338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).