(E)-2,3-dichloro-1-dimethoxyphosphorylprop-1-ene

C5H9Cl2O3P — CID 15564787

IUPAC(E)-2,3-dichloro-1-dimethoxyphosphorylprop-1-ene
SMILESCOP(=O)(/C=C(/Cl)CCl)OC
InChIInChI=1S/C5H9Cl2O3P/c1-9-11(8,10-2)4-5(7)3-6/h4H,3H2,1-2H3/b5-4+
InChIKeyFRAXTIOXHKGKBY-SNAWJCMRSA-N
MW219.00 g/mol
LogP2.79
Rot. Bonds4

About (E)-2,3-dichloro-1-dimethoxyphosphorylprop-1-ene

(E)-2,3-dichloro-1-dimethoxyphosphorylprop-1-ene (PubChem CID 15564787) has the molecular formula C5H9Cl2O3P and a molecular weight of 219.00 g/mol. Its IUPAC name is (E)-2,3-dichloro-1-dimethoxyphosphorylprop-1-ene.

Molecular Properties

Compound Name(E)-2,3-dichloro-1-dimethoxyphosphorylprop-1-ene
PubChem CID15564787
Molecular FormulaC5H9Cl2O3P
Molecular Weight219.00 g/mol
Exact Mass217.97
IUPAC Name(E)-2,3-dichloro-1-dimethoxyphosphorylprop-1-ene
SMILESCOP(=O)(/C=C(/Cl)CCl)OC
InChIInChI=1S/C5H9Cl2O3P/c1-9-11(8,10-2)4-5(7)3-6/h4H,3H2,1-2H3/b5-4+
InChIKeyFRAXTIOXHKGKBY-SNAWJCMRSA-N
XLogP2.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.00
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(2-chloroethyl) prop-1-en-2-ylphosphonate
CID 21426241
Dimethyl 2-chloro-2-propenylphosphonate
CID 12599955
4-Chloro-3-dimethoxyphosphorylbuta-1,2-diene
CID 23262893
1,2-Dichloro-3-dimethoxyphosphorylbuta-1,3-diene
CID 85443400
1-Chloroprop-2-enyl(methoxy)phosphinic acid
CID 87090444
2-[2-Chloroethoxy(2-chloroethyl)phosphoryl]oxyprop-1-ene
CID 88816862
3-Chloro-2-diethoxyphosphorylprop-1-ene
CID 10584674
2-(Chloromethyl)-3-dimethoxyphosphorylprop-1-ene
CID 10774355
3-Chloro-2-dimethoxyphosphorylprop-1-ene
CID 10932117
(E)-1-chloro-3-dimethoxyphosphorylprop-1-ene
CID 10932118
(E)-1,4-dichloro-2-dimethoxyphosphorylbut-1-ene
CID 12470703
(E)-2-chloro-1-dimethoxyphosphorylprop-1-ene
CID 12599957

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-dichloro-1-dimethoxyphosphorylprop-1-ene?
The IUPAC name of (E)-2,3-dichloro-1-dimethoxyphosphorylprop-1-ene (CID 15564787) is (E)-2,3-dichloro-1-dimethoxyphosphorylprop-1-ene.
What is the SMILES notation for (E)-2,3-dichloro-1-dimethoxyphosphorylprop-1-ene?
The canonical SMILES for (E)-2,3-dichloro-1-dimethoxyphosphorylprop-1-ene is COP(=O)(/C=C(/Cl)CCl)OC.
What is the InChIKey of (E)-2,3-dichloro-1-dimethoxyphosphorylprop-1-ene?
The InChIKey is FRAXTIOXHKGKBY-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H9Cl2O3P/c1-9-11(8,10-2)4-5(7)3-6/h4H,3H2,1-2H3/b5-4+.
What are the key properties of (E)-2,3-dichloro-1-dimethoxyphosphorylprop-1-ene?
(E)-2,3-dichloro-1-dimethoxyphosphorylprop-1-ene has a molecular weight of 219.00 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-dichloro-1-dimethoxyphosphorylprop-1-ene is sourced from PubChem (CID 15564787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).