dimethyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate

C10H16O6 — CID 58243403

IUPACdimethyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC(OC)(OC)C1
InChIInChI=1S/C10H16O6/c1-13-7(11)9(8(12)14-2)5-10(6-9,15-3)16-4/h5-6H2,1-4H3
InChIKeyZQNSLQUVIIBKNW-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.10
Rot. Bonds4

About dimethyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate

dimethyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate (PubChem CID 58243403) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is dimethyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate
PubChem CID58243403
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Namedimethyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC(OC)(OC)C1
InChIInChI=1S/C10H16O6/c1-13-7(11)9(8(12)14-2)5-10(6-9,15-3)16-4/h5-6H2,1-4H3
InChIKeyZQNSLQUVIIBKNW-UHFFFAOYSA-N
XLogP0.10
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(2-hydroxyethyl)-3,3-dimethoxycyclobutane-1-carboxylate
CID 90016982
methyl 5-acetylspiro[2.3]hexane-5-carboxylate
CID 79560182
1-methoxycarbonyl-3,3-dimethylcyclobutane-1-carboxylic acid
CID 115017052
dimethyl 4,4-diacetylcyclohexane-1,1-dicarboxylate
CID 71078652
ethyl 1-(cyclopropanecarbonyl)-3,3-dimethoxycyclobutane-1-carboxylate
CID 79555131
methyl 3,3-dimethoxy-1-(methylsulfanylmethyl)cyclopentane-1-carboxylate
CID 18614400
dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate;ethane
CID 144500244
methyl 1-hydroxycyclopropane-1-carboxylate
CID 2733178
methyl 2-methylspiro[2.2]pentane-2-carboxylate
CID 580337
methyl 1-(2-methylpropanoyl)cyclopropane-1-carboxylate
CID 79554685
methyl 3-methylbicyclo[1.1.0]butane-1-carboxylate
CID 12586517
methyl 1,2,2-trimethylcyclopropane-1-carboxylate
CID 15129471

Frequently Asked Questions

What is the IUPAC name of dimethyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate?
The IUPAC name of dimethyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate (CID 58243403) is dimethyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)CC(OC)(OC)C1.
What is the InChIKey of dimethyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate?
The InChIKey is ZQNSLQUVIIBKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-13-7(11)9(8(12)14-2)5-10(6-9,15-3)16-4/h5-6H2,1-4H3.
What are the key properties of dimethyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate?
dimethyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate has a molecular weight of 232.23 g/mol, XLogP of 0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate is sourced from PubChem (CID 58243403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).