diethyl (Z)-2-(1-hydroxycyclopentyl)but-2-enedioate

C13H20O5 — CID 11097188

IUPACdiethyl (Z)-2-(1-hydroxycyclopentyl)but-2-enedioate
SMILESCCOC(=O)/C=C(\C(=O)OCC)C1(O)CCCC1
InChIInChI=1S/C13H20O5/c1-3-17-11(14)9-10(12(15)18-4-2)13(16)7-5-6-8-13/h9,16H,3-8H2,1-2H3/b10-9+
InChIKeyFPTGXXJZWMIULT-MDZDMXLPSA-N
MW256.30 g/mol
LogP1.34
Rot. Bonds5

About diethyl (Z)-2-(1-hydroxycyclopentyl)but-2-enedioate

diethyl (Z)-2-(1-hydroxycyclopentyl)but-2-enedioate (PubChem CID 11097188) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is diethyl (Z)-2-(1-hydroxycyclopentyl)but-2-enedioate.

Molecular Properties

Compound Namediethyl (Z)-2-(1-hydroxycyclopentyl)but-2-enedioate
PubChem CID11097188
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Namediethyl (Z)-2-(1-hydroxycyclopentyl)but-2-enedioate
SMILESCCOC(=O)/C=C(\C(=O)OCC)C1(O)CCCC1
InChIInChI=1S/C13H20O5/c1-3-17-11(14)9-10(12(15)18-4-2)13(16)7-5-6-8-13/h9,16H,3-8H2,1-2H3/b10-9+
InChIKeyFPTGXXJZWMIULT-MDZDMXLPSA-N
XLogP1.34
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl (Z)-2-(1-hydroxycyclopentyl)but-2-enedioate?
The IUPAC name of diethyl (Z)-2-(1-hydroxycyclopentyl)but-2-enedioate (CID 11097188) is diethyl (Z)-2-(1-hydroxycyclopentyl)but-2-enedioate.
What is the SMILES notation for diethyl (Z)-2-(1-hydroxycyclopentyl)but-2-enedioate?
The canonical SMILES for diethyl (Z)-2-(1-hydroxycyclopentyl)but-2-enedioate is CCOC(=O)/C=C(\C(=O)OCC)C1(O)CCCC1.
What is the InChIKey of diethyl (Z)-2-(1-hydroxycyclopentyl)but-2-enedioate?
The InChIKey is FPTGXXJZWMIULT-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H20O5/c1-3-17-11(14)9-10(12(15)18-4-2)13(16)7-5-6-8-13/h9,16H,3-8H2,1-2H3/b10-9+.
What are the key properties of diethyl (Z)-2-(1-hydroxycyclopentyl)but-2-enedioate?
diethyl (Z)-2-(1-hydroxycyclopentyl)but-2-enedioate has a molecular weight of 256.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (Z)-2-(1-hydroxycyclopentyl)but-2-enedioate is sourced from PubChem (CID 11097188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).