ethyl 2-methoxy-2-methyl-4-methylideneoxolane-3-carboxylate

C10H16O4 — CID 14110258

IUPACethyl 2-methoxy-2-methyl-4-methylideneoxolane-3-carboxylate
SMILESC=C1COC(C)(OC)C1C(=O)OCC
InChIInChI=1S/C10H16O4/c1-5-13-9(11)8-7(2)6-14-10(8,3)12-4/h8H,2,5-6H2,1,3-4H3
InChIKeyODGSMWONOOMWTD-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.11
Rot. Bonds3

About ethyl 2-methoxy-2-methyl-4-methylideneoxolane-3-carboxylate

ethyl 2-methoxy-2-methyl-4-methylideneoxolane-3-carboxylate (PubChem CID 14110258) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 2-methoxy-2-methyl-4-methylideneoxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-2-methyl-4-methylideneoxolane-3-carboxylate
PubChem CID14110258
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 2-methoxy-2-methyl-4-methylideneoxolane-3-carboxylate
SMILESC=C1COC(C)(OC)C1C(=O)OCC
InChIInChI=1S/C10H16O4/c1-5-13-9(11)8-7(2)6-14-10(8,3)12-4/h8H,2,5-6H2,1,3-4H3
InChIKeyODGSMWONOOMWTD-UHFFFAOYSA-N
XLogP1.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-2-methyl-4-methylideneoxolane-3-carboxylate?
The IUPAC name of ethyl 2-methoxy-2-methyl-4-methylideneoxolane-3-carboxylate (CID 14110258) is ethyl 2-methoxy-2-methyl-4-methylideneoxolane-3-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-2-methyl-4-methylideneoxolane-3-carboxylate?
The canonical SMILES for ethyl 2-methoxy-2-methyl-4-methylideneoxolane-3-carboxylate is C=C1COC(C)(OC)C1C(=O)OCC.
What is the InChIKey of ethyl 2-methoxy-2-methyl-4-methylideneoxolane-3-carboxylate?
The InChIKey is ODGSMWONOOMWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-13-9(11)8-7(2)6-14-10(8,3)12-4/h8H,2,5-6H2,1,3-4H3.
What are the key properties of ethyl 2-methoxy-2-methyl-4-methylideneoxolane-3-carboxylate?
ethyl 2-methoxy-2-methyl-4-methylideneoxolane-3-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-2-methyl-4-methylideneoxolane-3-carboxylate is sourced from PubChem (CID 14110258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).