3-[bis(2-chloroethoxy)phosphoryl]-2-methylprop-1-ene

C8H15Cl2O3P — CID 139645668

IUPAC3-[bis(2-chloroethoxy)phosphoryl]-2-methylprop-1-ene
SMILESC=C(C)CP(=O)(OCCCl)OCCCl
InChIInChI=1S/C8H15Cl2O3P/c1-8(2)7-14(11,12-5-3-9)13-6-4-10/h1,3-7H2,2H3
InChIKeyVQELONANYMKNBM-UHFFFAOYSA-N
MW261.08 g/mol
LogP3.27
Rot. Bonds8

About 3-[bis(2-chloroethoxy)phosphoryl]-2-methylprop-1-ene

3-[bis(2-chloroethoxy)phosphoryl]-2-methylprop-1-ene (PubChem CID 139645668) has the molecular formula C8H15Cl2O3P and a molecular weight of 261.08 g/mol. Its IUPAC name is 3-[bis(2-chloroethoxy)phosphoryl]-2-methylprop-1-ene.

Molecular Properties

Compound Name3-[bis(2-chloroethoxy)phosphoryl]-2-methylprop-1-ene
PubChem CID139645668
Molecular FormulaC8H15Cl2O3P
Molecular Weight261.08 g/mol
Exact Mass260.01
IUPAC Name3-[bis(2-chloroethoxy)phosphoryl]-2-methylprop-1-ene
SMILESC=C(C)CP(=O)(OCCCl)OCCCl
InChIInChI=1S/C8H15Cl2O3P/c1-8(2)7-14(11,12-5-3-9)13-6-4-10/h1,3-7H2,2H3
InChIKeyVQELONANYMKNBM-UHFFFAOYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
2-Chloro-1-[2-chloropropoxy(ethenyl)phosphoryl]oxypropane
CID 54206262
Bis(2-chloropropyl) prop-2-en-1-ylphosphonate
CID 54282192
1-Chloro-2-methylene propane-3-phosphonic acid diethyl ester
CID 54311690
2-Chloroethoxy-oxo-prop-1-en-2-ylphosphanium
CID 88638572
2-[2-Chloroethoxy(2-chloroethyl)phosphoryl]oxyprop-1-ene
CID 88816862
1-Chloro-2-[1-chloropropan-2-yl(prop-1-en-2-yloxy)phosphoryl]oxypropane
CID 88828940
Butan-2-yloxy-(3-chloro-2-methylprop-2-enyl)phosphinic acid
CID 173458856
1-(2-Chloroethoxy)-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide
CID 2784501
1-(2-Chloroethoxy)-3,4-dimethylphospholen-1-one
CID 4084814
4-Chloro-1-diethoxyphosphoryl-3-methylbuta-1,2-diene
CID 11207164
(E)-4-chloro-1-diethoxyphosphoryl-2-methylbut-2-ene
CID 13703912

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-chloroethoxy)phosphoryl]-2-methylprop-1-ene?
The IUPAC name of 3-[bis(2-chloroethoxy)phosphoryl]-2-methylprop-1-ene (CID 139645668) is 3-[bis(2-chloroethoxy)phosphoryl]-2-methylprop-1-ene.
What is the SMILES notation for 3-[bis(2-chloroethoxy)phosphoryl]-2-methylprop-1-ene?
The canonical SMILES for 3-[bis(2-chloroethoxy)phosphoryl]-2-methylprop-1-ene is C=C(C)CP(=O)(OCCCl)OCCCl.
What is the InChIKey of 3-[bis(2-chloroethoxy)phosphoryl]-2-methylprop-1-ene?
The InChIKey is VQELONANYMKNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2O3P/c1-8(2)7-14(11,12-5-3-9)13-6-4-10/h1,3-7H2,2H3.
What are the key properties of 3-[bis(2-chloroethoxy)phosphoryl]-2-methylprop-1-ene?
3-[bis(2-chloroethoxy)phosphoryl]-2-methylprop-1-ene has a molecular weight of 261.08 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-chloroethoxy)phosphoryl]-2-methylprop-1-ene is sourced from PubChem (CID 139645668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).