[5-chloro-3-(2-chloroethyl)pent-1-en-3-yl]-dioxido-oxo-λ5-phosphane

C7H11Cl2O3P-2 — CID 22756743

IUPAC[5-chloro-3-(2-chloroethyl)pent-1-en-3-yl]-dioxido-oxo-λ5-phosphane
SMILESC=CC(CCCl)(CCCl)P(=O)([O-])[O-]
InChIInChI=1S/C7H13Cl2O3P/c1-2-7(3-5-8,4-6-9)13(10,11)12/h2H,1,3-6H2,(H2,10,11,12)/p-2
InChIKeyRFKQDAPROAHGMG-UHFFFAOYSA-L
MW245.04 g/mol
LogP1.08
Rot. Bonds6

About [5-chloro-3-(2-chloroethyl)pent-1-en-3-yl]-dioxido-oxo-λ5-phosphane

[5-chloro-3-(2-chloroethyl)pent-1-en-3-yl]-dioxido-oxo-λ5-phosphane (PubChem CID 22756743) has the molecular formula C7H11Cl2O3P-2 and a molecular weight of 245.04 g/mol. Its IUPAC name is [5-chloro-3-(2-chloroethyl)pent-1-en-3-yl]-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Name[5-chloro-3-(2-chloroethyl)pent-1-en-3-yl]-dioxido-oxo-λ5-phosphane
PubChem CID22756743
Molecular FormulaC7H11Cl2O3P-2
Molecular Weight245.04 g/mol
Exact Mass243.98
IUPAC Name[5-chloro-3-(2-chloroethyl)pent-1-en-3-yl]-dioxido-oxo-λ5-phosphane
SMILESC=CC(CCCl)(CCCl)P(=O)([O-])[O-]
InChIInChI=1S/C7H13Cl2O3P/c1-2-7(3-5-8,4-6-9)13(10,11)12/h2H,1,3-6H2,(H2,10,11,12)/p-2
InChIKeyRFKQDAPROAHGMG-UHFFFAOYSA-L
XLogP1.08
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.04
LogP ≤ 51.08
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

3-chloro-1,1,1-trifluoropropane;1,1,1,3-tetrachloropropane;3,3,3-trifluoroprop-1-ene
CID 159816645
dioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane
CID 19347926
4-dichlorophosphoryl-4,4-difluorobut-1-ene
CID 146291479
copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane
CID 13424002
bis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+)
CID 88773242
diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane
CID 168655255
trilithium;ethene;phosphate
CID 172694198
calcium methyl-dioxido-oxo-λ5-phosphane
CID 59434200
disodium;dioxido-oxo-(1,1,2,2,2-pentafluoroethyl)-λ5-phosphane
CID 121334472
disodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane
CID 23619782
3-(chloromethyl)pentan-3-yl-dioxido-oxo-λ5-phosphane
CID 91873465
molybdenum diphosphate
CID 22395595

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(2-chloroethyl)pent-1-en-3-yl]-dioxido-oxo-λ5-phosphane?
The IUPAC name of [5-chloro-3-(2-chloroethyl)pent-1-en-3-yl]-dioxido-oxo-λ5-phosphane (CID 22756743) is [5-chloro-3-(2-chloroethyl)pent-1-en-3-yl]-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for [5-chloro-3-(2-chloroethyl)pent-1-en-3-yl]-dioxido-oxo-λ5-phosphane?
The canonical SMILES for [5-chloro-3-(2-chloroethyl)pent-1-en-3-yl]-dioxido-oxo-λ5-phosphane is C=CC(CCCl)(CCCl)P(=O)([O-])[O-].
What is the InChIKey of [5-chloro-3-(2-chloroethyl)pent-1-en-3-yl]-dioxido-oxo-λ5-phosphane?
The InChIKey is RFKQDAPROAHGMG-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H13Cl2O3P/c1-2-7(3-5-8,4-6-9)13(10,11)12/h2H,1,3-6H2,(H2,10,11,12)/p-2.
What are the key properties of [5-chloro-3-(2-chloroethyl)pent-1-en-3-yl]-dioxido-oxo-λ5-phosphane?
[5-chloro-3-(2-chloroethyl)pent-1-en-3-yl]-dioxido-oxo-λ5-phosphane has a molecular weight of 245.04 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(2-chloroethyl)pent-1-en-3-yl]-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 22756743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).