dimethyl (5Z)-5-(1-hydroxyethylidene)-3-methylcyclopenta-1,3-diene-1,2-dicarboxylate

C12H14O5 — CID 121013955

IUPACdimethyl (5Z)-5-(1-hydroxyethylidene)-3-methylcyclopenta-1,3-diene-1,2-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)/C(=C(/C)O)C=C1C
InChIInChI=1S/C12H14O5/c1-6-5-8(7(2)13)10(12(15)17-4)9(6)11(14)16-3/h5,13H,1-4H3/b8-7-
InChIKeyLBRJTLJBLDBQNM-FPLPWBNLSA-N
MW238.24 g/mol
LogP1.42
Rot. Bonds2

About dimethyl (5Z)-5-(1-hydroxyethylidene)-3-methylcyclopenta-1,3-diene-1,2-dicarboxylate

dimethyl (5Z)-5-(1-hydroxyethylidene)-3-methylcyclopenta-1,3-diene-1,2-dicarboxylate (PubChem CID 121013955) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is dimethyl (5Z)-5-(1-hydroxyethylidene)-3-methylcyclopenta-1,3-diene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (5Z)-5-(1-hydroxyethylidene)-3-methylcyclopenta-1,3-diene-1,2-dicarboxylate
PubChem CID121013955
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Namedimethyl (5Z)-5-(1-hydroxyethylidene)-3-methylcyclopenta-1,3-diene-1,2-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)/C(=C(/C)O)C=C1C
InChIInChI=1S/C12H14O5/c1-6-5-8(7(2)13)10(12(15)17-4)9(6)11(14)16-3/h5,13H,1-4H3/b8-7-
InChIKeyLBRJTLJBLDBQNM-FPLPWBNLSA-N
XLogP1.42
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl (5Z)-5-(1-hydroxyethylidene)-3-methylcyclopenta-1,3-diene-1,2-dicarboxylate?
The IUPAC name of dimethyl (5Z)-5-(1-hydroxyethylidene)-3-methylcyclopenta-1,3-diene-1,2-dicarboxylate (CID 121013955) is dimethyl (5Z)-5-(1-hydroxyethylidene)-3-methylcyclopenta-1,3-diene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (5Z)-5-(1-hydroxyethylidene)-3-methylcyclopenta-1,3-diene-1,2-dicarboxylate?
The canonical SMILES for dimethyl (5Z)-5-(1-hydroxyethylidene)-3-methylcyclopenta-1,3-diene-1,2-dicarboxylate is COC(=O)C1=C(C(=O)OC)/C(=C(/C)O)C=C1C.
What is the InChIKey of dimethyl (5Z)-5-(1-hydroxyethylidene)-3-methylcyclopenta-1,3-diene-1,2-dicarboxylate?
The InChIKey is LBRJTLJBLDBQNM-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H14O5/c1-6-5-8(7(2)13)10(12(15)17-4)9(6)11(14)16-3/h5,13H,1-4H3/b8-7-.
What are the key properties of dimethyl (5Z)-5-(1-hydroxyethylidene)-3-methylcyclopenta-1,3-diene-1,2-dicarboxylate?
dimethyl (5Z)-5-(1-hydroxyethylidene)-3-methylcyclopenta-1,3-diene-1,2-dicarboxylate has a molecular weight of 238.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (5Z)-5-(1-hydroxyethylidene)-3-methylcyclopenta-1,3-diene-1,2-dicarboxylate is sourced from PubChem (CID 121013955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).