methyl 3,5-dichloro-1-hydroxy-4-oxo-2-[(Z)-prop-1-enyl]cyclopent-2-ene-1-carboxylate

C10H10Cl2O4 — CID 20838648

IUPACmethyl 3,5-dichloro-1-hydroxy-4-oxo-2-[(Z)-prop-1-enyl]cyclopent-2-ene-1-carboxylate
SMILESC/C=C\C1=C(Cl)C(=O)C(Cl)C1(O)C(=O)OC
InChIInChI=1S/C10H10Cl2O4/c1-3-4-5-6(11)7(13)8(12)10(5,15)9(14)16-2/h3-4,8,15H,1-2H3/b4-3-
InChIKeyVFXXEEUGYINLKM-ARJAWSKDSA-N
MW265.09 g/mol
LogP1.15
Rot. Bonds2

About methyl 3,5-dichloro-1-hydroxy-4-oxo-2-[(Z)-prop-1-enyl]cyclopent-2-ene-1-carboxylate

methyl 3,5-dichloro-1-hydroxy-4-oxo-2-[(Z)-prop-1-enyl]cyclopent-2-ene-1-carboxylate (PubChem CID 20838648) has the molecular formula C10H10Cl2O4 and a molecular weight of 265.09 g/mol. Its IUPAC name is methyl 3,5-dichloro-1-hydroxy-4-oxo-2-[(Z)-prop-1-enyl]cyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3,5-dichloro-1-hydroxy-4-oxo-2-[(Z)-prop-1-enyl]cyclopent-2-ene-1-carboxylate
PubChem CID20838648
Molecular FormulaC10H10Cl2O4
Molecular Weight265.09 g/mol
Exact Mass264.00
IUPAC Namemethyl 3,5-dichloro-1-hydroxy-4-oxo-2-[(Z)-prop-1-enyl]cyclopent-2-ene-1-carboxylate
SMILESC/C=C\C1=C(Cl)C(=O)C(Cl)C1(O)C(=O)OC
InChIInChI=1S/C10H10Cl2O4/c1-3-4-5-6(11)7(13)8(12)10(5,15)9(14)16-2/h3-4,8,15H,1-2H3/b4-3-
InChIKeyVFXXEEUGYINLKM-ARJAWSKDSA-N
XLogP1.15
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dichloro-1-hydroxy-4-oxo-2-[(Z)-prop-1-enyl]cyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl 3,5-dichloro-1-hydroxy-4-oxo-2-[(Z)-prop-1-enyl]cyclopent-2-ene-1-carboxylate (CID 20838648) is methyl 3,5-dichloro-1-hydroxy-4-oxo-2-[(Z)-prop-1-enyl]cyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl 3,5-dichloro-1-hydroxy-4-oxo-2-[(Z)-prop-1-enyl]cyclopent-2-ene-1-carboxylate?
The canonical SMILES for methyl 3,5-dichloro-1-hydroxy-4-oxo-2-[(Z)-prop-1-enyl]cyclopent-2-ene-1-carboxylate is C/C=C\C1=C(Cl)C(=O)C(Cl)C1(O)C(=O)OC.
What is the InChIKey of methyl 3,5-dichloro-1-hydroxy-4-oxo-2-[(Z)-prop-1-enyl]cyclopent-2-ene-1-carboxylate?
The InChIKey is VFXXEEUGYINLKM-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H10Cl2O4/c1-3-4-5-6(11)7(13)8(12)10(5,15)9(14)16-2/h3-4,8,15H,1-2H3/b4-3-.
What are the key properties of methyl 3,5-dichloro-1-hydroxy-4-oxo-2-[(Z)-prop-1-enyl]cyclopent-2-ene-1-carboxylate?
methyl 3,5-dichloro-1-hydroxy-4-oxo-2-[(Z)-prop-1-enyl]cyclopent-2-ene-1-carboxylate has a molecular weight of 265.09 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dichloro-1-hydroxy-4-oxo-2-[(Z)-prop-1-enyl]cyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 20838648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).