2-dichlorophosphoryl-1-ethoxyprop-1-ene

C5H9Cl2O2P — CID 71447152

IUPAC2-dichlorophosphoryl-1-ethoxyprop-1-ene
SMILESCCOC=C(C)P(=O)(Cl)Cl
InChIInChI=1S/C5H9Cl2O2P/c1-3-9-4-5(2)10(6,7)8/h4H,3H2,1-2H3
InChIKeyGUNXRTQZNWISHU-UHFFFAOYSA-N
MW203.00 g/mol
LogP3.55
Rot. Bonds3

About 2-dichlorophosphoryl-1-ethoxyprop-1-ene

2-dichlorophosphoryl-1-ethoxyprop-1-ene (PubChem CID 71447152) has the molecular formula C5H9Cl2O2P and a molecular weight of 203.00 g/mol. Its IUPAC name is 2-dichlorophosphoryl-1-ethoxyprop-1-ene.

Molecular Properties

Compound Name2-dichlorophosphoryl-1-ethoxyprop-1-ene
PubChem CID71447152
Molecular FormulaC5H9Cl2O2P
Molecular Weight203.00 g/mol
Exact Mass201.97
IUPAC Name2-dichlorophosphoryl-1-ethoxyprop-1-ene
SMILESCCOC=C(C)P(=O)(Cl)Cl
InChIInChI=1S/C5H9Cl2O2P/c1-3-9-4-5(2)10(6,7)8/h4H,3H2,1-2H3
InChIKeyGUNXRTQZNWISHU-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.00
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene
CID 87702218
[(Z)-1,2-diethoxyethenyl]phosphonic acid
CID 122657140
(Z)-1,2-diethoxyprop-1-ene
CID 56606177
3-ethoxy-2-fluoroprop-2-enoyl chloride
CID 54080437
3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene
CID 90777101
(4E)-4-(ethoxymethylidene)-1-methoxyhexan-3-one
CID 142682528
but-3-en-2-one;ethenoxyethane
CID 18988720
methyl 2-(ethoxymethylidene)-3-oxobutanoate
CID 54517351
(2E)-4-chloro-2-(ethoxymethylidene)butanal
CID 11499270
propyl (E)-3-ethoxy-2-methylprop-2-enoate
CID 88810340
octyl (Z)-3-ethoxy-2-methylprop-2-enoate
CID 59895705
(E)-3-ethoxy-N,2-dimethylprop-2-en-1-imine
CID 163855599

Frequently Asked Questions

What is the IUPAC name of 2-dichlorophosphoryl-1-ethoxyprop-1-ene?
The IUPAC name of 2-dichlorophosphoryl-1-ethoxyprop-1-ene (CID 71447152) is 2-dichlorophosphoryl-1-ethoxyprop-1-ene.
What is the SMILES notation for 2-dichlorophosphoryl-1-ethoxyprop-1-ene?
The canonical SMILES for 2-dichlorophosphoryl-1-ethoxyprop-1-ene is CCOC=C(C)P(=O)(Cl)Cl.
What is the InChIKey of 2-dichlorophosphoryl-1-ethoxyprop-1-ene?
The InChIKey is GUNXRTQZNWISHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2O2P/c1-3-9-4-5(2)10(6,7)8/h4H,3H2,1-2H3.
What are the key properties of 2-dichlorophosphoryl-1-ethoxyprop-1-ene?
2-dichlorophosphoryl-1-ethoxyprop-1-ene has a molecular weight of 203.00 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dichlorophosphoryl-1-ethoxyprop-1-ene is sourced from PubChem (CID 71447152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).