[(Z)-2-bromoethenyl] dimethyl phosphate

C4H8BrO4P — CID 23271305

IUPAC[(Z)-2-bromoethenyl] dimethyl phosphate
SMILESCOP(=O)(OC)O/C=C\Br
InChIInChI=1S/C4H8BrO4P/c1-7-10(6,8-2)9-4-3-5/h3-4H,1-2H3/b4-3-
InChIKeyUCIDWOBHLSHLQT-ARJAWSKDSA-N
MW230.98 g/mol
LogP2.27
Rot. Bonds4

About [(Z)-2-bromoethenyl] dimethyl phosphate

[(Z)-2-bromoethenyl] dimethyl phosphate (PubChem CID 23271305) has the molecular formula C4H8BrO4P and a molecular weight of 230.98 g/mol. Its IUPAC name is [(Z)-2-bromoethenyl] dimethyl phosphate.

Molecular Properties

Compound Name[(Z)-2-bromoethenyl] dimethyl phosphate
PubChem CID23271305
Molecular FormulaC4H8BrO4P
Molecular Weight230.98 g/mol
Exact Mass229.93
IUPAC Name[(Z)-2-bromoethenyl] dimethyl phosphate
SMILESCOP(=O)(OC)O/C=C\Br
InChIInChI=1S/C4H8BrO4P/c1-7-10(6,8-2)9-4-3-5/h3-4H,1-2H3/b4-3-
InChIKeyUCIDWOBHLSHLQT-ARJAWSKDSA-N
XLogP2.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.98
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1-bromoprop-1-en-2-yl] dimethyl phosphate
CID 5371580
difluoro prop-1-enyl phosphate
CID 130422600
chloro bis(prop-1-enyl) phosphate
CID 130422739
2-(methoxyamino)prop-1-enyl dimethyl phosphate
CID 57038972
hydroxy dimethyl phosphate
CID 126582959
methylsulfinylmethane;trimethyl phosphate
CID 161484934
fluoro iodo methyl phosphate
CID 175579021
tris[(E)-2-chloroethenyl] phosphate
CID 88804687
potassium;hydride;phosphoric acid;trimethyl phosphate
CID 174889020
[iodo(methoxy)phosphoryl]oxymethane
CID 14593808
1-[bromo(fluoro)phosphoryl]oxyprop-1-ene
CID 130422658
dimethyl sulfate;trimethyl phosphate
CID 159905170

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-bromoethenyl] dimethyl phosphate?
The IUPAC name of [(Z)-2-bromoethenyl] dimethyl phosphate (CID 23271305) is [(Z)-2-bromoethenyl] dimethyl phosphate.
What is the SMILES notation for [(Z)-2-bromoethenyl] dimethyl phosphate?
The canonical SMILES for [(Z)-2-bromoethenyl] dimethyl phosphate is COP(=O)(OC)O/C=C\Br.
What is the InChIKey of [(Z)-2-bromoethenyl] dimethyl phosphate?
The InChIKey is UCIDWOBHLSHLQT-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H8BrO4P/c1-7-10(6,8-2)9-4-3-5/h3-4H,1-2H3/b4-3-.
What are the key properties of [(Z)-2-bromoethenyl] dimethyl phosphate?
[(Z)-2-bromoethenyl] dimethyl phosphate has a molecular weight of 230.98 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-bromoethenyl] dimethyl phosphate is sourced from PubChem (CID 23271305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).