ethyl 3-(methoxymethylidene)-1-methylcyclobutane-1-carboxylate

C10H16O3 — CID 155591680

IUPACethyl 3-(methoxymethylidene)-1-methylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C)CC(=COC)C1
InChIInChI=1S/C10H16O3/c1-4-13-9(11)10(2)5-8(6-10)7-12-3/h7H,4-6H2,1-3H3/b8-7-
InChIKeyJWSNWAUNCYFXMQ-FPLPWBNLSA-N
MW184.23 g/mol
LogP1.88
Rot. Bonds3

About ethyl 3-(methoxymethylidene)-1-methylcyclobutane-1-carboxylate

ethyl 3-(methoxymethylidene)-1-methylcyclobutane-1-carboxylate (PubChem CID 155591680) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl 3-(methoxymethylidene)-1-methylcyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(methoxymethylidene)-1-methylcyclobutane-1-carboxylate
PubChem CID155591680
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl 3-(methoxymethylidene)-1-methylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C)CC(=COC)C1
InChIInChI=1S/C10H16O3/c1-4-13-9(11)10(2)5-8(6-10)7-12-3/h7H,4-6H2,1-3H3/b8-7-
InChIKeyJWSNWAUNCYFXMQ-FPLPWBNLSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate
CID 158121003
ethyl 3-fluoro-1-methylcyclobutane-1-carboxylate
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CID 130360758
ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
CID 142438427
CID 58182482
CID 58182482
ethyl 4-(methoxymethylidene)bicyclo[3.2.1]octane-1-carboxylate
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CID 91306842
ethyl 3-chloro-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 156692971
ethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate
CID 24977741
ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride
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diethyl (6E)-6-(methoxymethylidene)-5-oxo-3,3a,4,6a-tetrahydro-1H-pentalene-2,2-dicarboxylate
CID 101111055
ethyl 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidine-3-carboxylate
CID 133387249

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methoxymethylidene)-1-methylcyclobutane-1-carboxylate?
The IUPAC name of ethyl 3-(methoxymethylidene)-1-methylcyclobutane-1-carboxylate (CID 155591680) is ethyl 3-(methoxymethylidene)-1-methylcyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 3-(methoxymethylidene)-1-methylcyclobutane-1-carboxylate?
The canonical SMILES for ethyl 3-(methoxymethylidene)-1-methylcyclobutane-1-carboxylate is CCOC(=O)C1(C)CC(=COC)C1.
What is the InChIKey of ethyl 3-(methoxymethylidene)-1-methylcyclobutane-1-carboxylate?
The InChIKey is JWSNWAUNCYFXMQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-13-9(11)10(2)5-8(6-10)7-12-3/h7H,4-6H2,1-3H3/b8-7-.
What are the key properties of ethyl 3-(methoxymethylidene)-1-methylcyclobutane-1-carboxylate?
ethyl 3-(methoxymethylidene)-1-methylcyclobutane-1-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methoxymethylidene)-1-methylcyclobutane-1-carboxylate is sourced from PubChem (CID 155591680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).