dimethyl 4,4-dimethoxycyclopentane-1,3-dicarboxylate

C11H18O6 — CID 22467065

IUPACdimethyl 4,4-dimethoxycyclopentane-1,3-dicarboxylate
SMILESCOC(=O)C1CC(C(=O)OC)C(OC)(OC)C1
InChIInChI=1S/C11H18O6/c1-14-9(12)7-5-8(10(13)15-2)11(6-7,16-3)17-4/h7-8H,5-6H2,1-4H3
InChIKeyKFQQIGPMXRCSGC-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.35
Rot. Bonds4

About dimethyl 4,4-dimethoxycyclopentane-1,3-dicarboxylate

dimethyl 4,4-dimethoxycyclopentane-1,3-dicarboxylate (PubChem CID 22467065) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is dimethyl 4,4-dimethoxycyclopentane-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4,4-dimethoxycyclopentane-1,3-dicarboxylate
PubChem CID22467065
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Namedimethyl 4,4-dimethoxycyclopentane-1,3-dicarboxylate
SMILESCOC(=O)C1CC(C(=O)OC)C(OC)(OC)C1
InChIInChI=1S/C11H18O6/c1-14-9(12)7-5-8(10(13)15-2)11(6-7,16-3)17-4/h7-8H,5-6H2,1-4H3
InChIKeyKFQQIGPMXRCSGC-UHFFFAOYSA-N
XLogP0.35
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.35
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 4,4-dimethoxycyclopentane-1,3-dicarboxylate?
The IUPAC name of dimethyl 4,4-dimethoxycyclopentane-1,3-dicarboxylate (CID 22467065) is dimethyl 4,4-dimethoxycyclopentane-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 4,4-dimethoxycyclopentane-1,3-dicarboxylate?
The canonical SMILES for dimethyl 4,4-dimethoxycyclopentane-1,3-dicarboxylate is COC(=O)C1CC(C(=O)OC)C(OC)(OC)C1.
What is the InChIKey of dimethyl 4,4-dimethoxycyclopentane-1,3-dicarboxylate?
The InChIKey is KFQQIGPMXRCSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O6/c1-14-9(12)7-5-8(10(13)15-2)11(6-7,16-3)17-4/h7-8H,5-6H2,1-4H3.
What are the key properties of dimethyl 4,4-dimethoxycyclopentane-1,3-dicarboxylate?
dimethyl 4,4-dimethoxycyclopentane-1,3-dicarboxylate has a molecular weight of 246.26 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4,4-dimethoxycyclopentane-1,3-dicarboxylate is sourced from PubChem (CID 22467065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).