dimethyl 3,3-dimethoxycyclobutene-1,2-dicarboxylate

C10H14O6 — CID 14942181

IUPACdimethyl 3,3-dimethoxycyclobutene-1,2-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(OC)(OC)C1
InChIInChI=1S/C10H14O6/c1-13-8(11)6-5-10(15-3,16-4)7(6)9(12)14-2/h5H2,1-4H3
InChIKeyKOLLRVUMMFNUTF-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.02
Rot. Bonds4

About dimethyl 3,3-dimethoxycyclobutene-1,2-dicarboxylate

dimethyl 3,3-dimethoxycyclobutene-1,2-dicarboxylate (PubChem CID 14942181) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is dimethyl 3,3-dimethoxycyclobutene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,3-dimethoxycyclobutene-1,2-dicarboxylate
PubChem CID14942181
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Namedimethyl 3,3-dimethoxycyclobutene-1,2-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(OC)(OC)C1
InChIInChI=1S/C10H14O6/c1-13-8(11)6-5-10(15-3,16-4)7(6)9(12)14-2/h5H2,1-4H3
InChIKeyKOLLRVUMMFNUTF-UHFFFAOYSA-N
XLogP0.02
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3,3-dimethoxycyclobutene-1,2-dicarboxylate?
The IUPAC name of dimethyl 3,3-dimethoxycyclobutene-1,2-dicarboxylate (CID 14942181) is dimethyl 3,3-dimethoxycyclobutene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 3,3-dimethoxycyclobutene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 3,3-dimethoxycyclobutene-1,2-dicarboxylate is COC(=O)C1=C(C(=O)OC)C(OC)(OC)C1.
What is the InChIKey of dimethyl 3,3-dimethoxycyclobutene-1,2-dicarboxylate?
The InChIKey is KOLLRVUMMFNUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-13-8(11)6-5-10(15-3,16-4)7(6)9(12)14-2/h5H2,1-4H3.
What are the key properties of dimethyl 3,3-dimethoxycyclobutene-1,2-dicarboxylate?
dimethyl 3,3-dimethoxycyclobutene-1,2-dicarboxylate has a molecular weight of 230.22 g/mol, XLogP of 0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,3-dimethoxycyclobutene-1,2-dicarboxylate is sourced from PubChem (CID 14942181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).