dimethyl 3-(acetyloxymethyl)-4-ethenylcyclopent-3-ene-1,1-dicarboxylate

C14H18O6 — CID 10516992

IUPACdimethyl 3-(acetyloxymethyl)-4-ethenylcyclopent-3-ene-1,1-dicarboxylate
SMILESC=CC1=C(COC(C)=O)CC(C(=O)OC)(C(=O)OC)C1
InChIInChI=1S/C14H18O6/c1-5-10-6-14(12(16)18-3,13(17)19-4)7-11(10)8-20-9(2)15/h5H,1,6-8H2,2-4H3
InChIKeyPNGJDEGATLTHOJ-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.16
Rot. Bonds5

About dimethyl 3-(acetyloxymethyl)-4-ethenylcyclopent-3-ene-1,1-dicarboxylate

dimethyl 3-(acetyloxymethyl)-4-ethenylcyclopent-3-ene-1,1-dicarboxylate (PubChem CID 10516992) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is dimethyl 3-(acetyloxymethyl)-4-ethenylcyclopent-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(acetyloxymethyl)-4-ethenylcyclopent-3-ene-1,1-dicarboxylate
PubChem CID10516992
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Namedimethyl 3-(acetyloxymethyl)-4-ethenylcyclopent-3-ene-1,1-dicarboxylate
SMILESC=CC1=C(COC(C)=O)CC(C(=O)OC)(C(=O)OC)C1
InChIInChI=1S/C14H18O6/c1-5-10-6-14(12(16)18-3,13(17)19-4)7-11(10)8-20-9(2)15/h5H,1,6-8H2,2-4H3
InChIKeyPNGJDEGATLTHOJ-UHFFFAOYSA-N
XLogP1.16
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Diethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate
CID 14931222
Diethyl 3-(acetyloxymethyl)-4-prop-1-en-2-ylcyclopent-3-ene-1,1-dicarboxylate
CID 101200576
Diethyl 3-(acetyloxymethyl)-4-methyl-5-methylidenecyclohex-3-ene-1,1-dicarboxylate
CID 101200577
diethyl 3-methyl-4-[(E)-prop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
CID 102433961
CID 135078706
CID 135078706
3-O,3-O-diethyl 5-O-methyl (6E,8E)-deca-1,6,8-triene-3,3,5-tricarboxylate
CID 10315075
dimethyl (3Z)-3-(2-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate
CID 21587833
dimethyl (5E)-5-(2-acetyloxyethylidene)cyclohex-3-ene-1,1-dicarboxylate
CID 10731578
Diethyl 3-(acetyloxymethyl)cyclopent-3-ene-1,1-dicarboxylate
CID 10755469
dimethyl (3E)-3-(2-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate
CID 10826732
diethyl 3-[(Z)-3-ethoxy-3-oxoprop-1-enyl]-4-methylcyclopent-3-ene-1,1-dicarboxylate
CID 11001858
Dimethyl 3-(acetyloxymethyl)-4-methyl-5-methylidenecyclohex-3-ene-1,1-dicarboxylate
CID 11208677

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(acetyloxymethyl)-4-ethenylcyclopent-3-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl 3-(acetyloxymethyl)-4-ethenylcyclopent-3-ene-1,1-dicarboxylate (CID 10516992) is dimethyl 3-(acetyloxymethyl)-4-ethenylcyclopent-3-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 3-(acetyloxymethyl)-4-ethenylcyclopent-3-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl 3-(acetyloxymethyl)-4-ethenylcyclopent-3-ene-1,1-dicarboxylate is C=CC1=C(COC(C)=O)CC(C(=O)OC)(C(=O)OC)C1.
What is the InChIKey of dimethyl 3-(acetyloxymethyl)-4-ethenylcyclopent-3-ene-1,1-dicarboxylate?
The InChIKey is PNGJDEGATLTHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-5-10-6-14(12(16)18-3,13(17)19-4)7-11(10)8-20-9(2)15/h5H,1,6-8H2,2-4H3.
What are the key properties of dimethyl 3-(acetyloxymethyl)-4-ethenylcyclopent-3-ene-1,1-dicarboxylate?
dimethyl 3-(acetyloxymethyl)-4-ethenylcyclopent-3-ene-1,1-dicarboxylate has a molecular weight of 282.29 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(acetyloxymethyl)-4-ethenylcyclopent-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 10516992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).