2-[chloro(ethoxy)phosphoryl]prop-1-ene

C5H10ClO2P — CID 19985655

IUPAC2-[chloro(ethoxy)phosphoryl]prop-1-ene
SMILESC=C(C)P(=O)(Cl)OCC
InChIInChI=1S/C5H10ClO2P/c1-4-8-9(6,7)5(2)3/h2,4H2,1,3H3
InChIKeyZYEZPTZYJLRHPD-UHFFFAOYSA-N
MW168.56 g/mol
LogP2.99
Rot. Bonds3

About 2-[chloro(ethoxy)phosphoryl]prop-1-ene

2-[chloro(ethoxy)phosphoryl]prop-1-ene (PubChem CID 19985655) has the molecular formula C5H10ClO2P and a molecular weight of 168.56 g/mol. Its IUPAC name is 2-[chloro(ethoxy)phosphoryl]prop-1-ene.

Molecular Properties

Compound Name2-[chloro(ethoxy)phosphoryl]prop-1-ene
PubChem CID19985655
Molecular FormulaC5H10ClO2P
Molecular Weight168.56 g/mol
Exact Mass168.01
IUPAC Name2-[chloro(ethoxy)phosphoryl]prop-1-ene
SMILESC=C(C)P(=O)(Cl)OCC
InChIInChI=1S/C5H10ClO2P/c1-4-8-9(6,7)5(2)3/h2,4H2,1,3H3
InChIKeyZYEZPTZYJLRHPD-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.56
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diethyl allylphosphonate
CID 573014
Diethyl isopropenyl phosphate
CID 319403
Diethyl isopropenylphosphonate
CID 88390
Diethyl propadienylphosphonate
CID 12716821
Dimethyl 1-methylvinylphosphonate
CID 556478
Diethyl (1E)-prop-1-en-1-ylphosphonate
CID 5702572
Fosfomycin Impurity 18
CID 12487674
(2-Chloro-allyl)-phosphonic acid diethyl ester
CID 3614432
1-[Chloro(methyl)phosphoryl]oxypropane
CID 12653321
3-Diethoxyphosphoryl-2-fluoroprop-1-ene
CID 134845576
Diethyl prop-1-en-1-ylphosphonate
CID 2733601
1-[Butoxy(prop-1-en-2-yl)phosphoryl]oxybutane
CID 66545819

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(ethoxy)phosphoryl]prop-1-ene?
The IUPAC name of 2-[chloro(ethoxy)phosphoryl]prop-1-ene (CID 19985655) is 2-[chloro(ethoxy)phosphoryl]prop-1-ene.
What is the SMILES notation for 2-[chloro(ethoxy)phosphoryl]prop-1-ene?
The canonical SMILES for 2-[chloro(ethoxy)phosphoryl]prop-1-ene is C=C(C)P(=O)(Cl)OCC.
What is the InChIKey of 2-[chloro(ethoxy)phosphoryl]prop-1-ene?
The InChIKey is ZYEZPTZYJLRHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClO2P/c1-4-8-9(6,7)5(2)3/h2,4H2,1,3H3.
What are the key properties of 2-[chloro(ethoxy)phosphoryl]prop-1-ene?
2-[chloro(ethoxy)phosphoryl]prop-1-ene has a molecular weight of 168.56 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(ethoxy)phosphoryl]prop-1-ene is sourced from PubChem (CID 19985655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).