(Z)-4-dimethoxyphosphoryloxybut-2-enoic acid

C6H11O6P — CID 87350117

IUPAC(Z)-4-dimethoxyphosphoryloxybut-2-enoic acid
SMILESCOP(=O)(OC)OC/C=C\C(=O)O
InChIInChI=1S/C6H11O6P/c1-10-13(9,11-2)12-5-3-4-6(7)8/h3-4H,5H2,1-2H3,(H,7,8)/b4-3-
InChIKeyZFIOVBTTYYOBCA-ARJAWSKDSA-N
MW210.12 g/mol
LogP1.04
Rot. Bonds6

About (Z)-4-dimethoxyphosphoryloxybut-2-enoic acid

(Z)-4-dimethoxyphosphoryloxybut-2-enoic acid (PubChem CID 87350117) has the molecular formula C6H11O6P and a molecular weight of 210.12 g/mol. Its IUPAC name is (Z)-4-dimethoxyphosphoryloxybut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-dimethoxyphosphoryloxybut-2-enoic acid
PubChem CID87350117
Molecular FormulaC6H11O6P
Molecular Weight210.12 g/mol
Exact Mass210.03
IUPAC Name(Z)-4-dimethoxyphosphoryloxybut-2-enoic acid
SMILESCOP(=O)(OC)OC/C=C\C(=O)O
InChIInChI=1S/C6H11O6P/c1-10-13(9,11-2)12-5-3-4-6(7)8/h3-4H,5H2,1-2H3,(H,7,8)/b4-3-
InChIKeyZFIOVBTTYYOBCA-ARJAWSKDSA-N
XLogP1.04
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-dimethoxyphosphoryloxybut-2-enoic acid?
The IUPAC name of (Z)-4-dimethoxyphosphoryloxybut-2-enoic acid (CID 87350117) is (Z)-4-dimethoxyphosphoryloxybut-2-enoic acid.
What is the SMILES notation for (Z)-4-dimethoxyphosphoryloxybut-2-enoic acid?
The canonical SMILES for (Z)-4-dimethoxyphosphoryloxybut-2-enoic acid is COP(=O)(OC)OC/C=C\C(=O)O.
What is the InChIKey of (Z)-4-dimethoxyphosphoryloxybut-2-enoic acid?
The InChIKey is ZFIOVBTTYYOBCA-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H11O6P/c1-10-13(9,11-2)12-5-3-4-6(7)8/h3-4H,5H2,1-2H3,(H,7,8)/b4-3-.
What are the key properties of (Z)-4-dimethoxyphosphoryloxybut-2-enoic acid?
(Z)-4-dimethoxyphosphoryloxybut-2-enoic acid has a molecular weight of 210.12 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-dimethoxyphosphoryloxybut-2-enoic acid is sourced from PubChem (CID 87350117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).