2-chloro-1,3,2λ5-dioxaphospholane 2-oxide;methane

C3H8ClO3P — CID 158606603

IUPAC2-chloro-1,3,2λ5-dioxaphospholane 2-oxide;methane
SMILESC.O=P1(Cl)OCCO1
InChIInChI=1S/C2H4ClO3P.CH4/c3-7(4)5-1-2-6-7;/h1-2H2;1H4
InChIKeyHWHQKCASHUZYSK-UHFFFAOYSA-N
MW158.52 g/mol
LogP2.02
Rot. Bonds

About 2-chloro-1,3,2λ5-dioxaphospholane 2-oxide;methane

2-chloro-1,3,2λ5-dioxaphospholane 2-oxide;methane (PubChem CID 158606603) has the molecular formula C3H8ClO3P and a molecular weight of 158.52 g/mol. Its IUPAC name is 2-chloro-1,3,2λ5-dioxaphospholane 2-oxide;methane.

Molecular Properties

Compound Name2-chloro-1,3,2λ5-dioxaphospholane 2-oxide;methane
PubChem CID158606603
Molecular FormulaC3H8ClO3P
Molecular Weight158.52 g/mol
Exact Mass157.99
IUPAC Name2-chloro-1,3,2λ5-dioxaphospholane 2-oxide;methane
SMILESC.O=P1(Cl)OCCO1
InChIInChI=1S/C2H4ClO3P.CH4/c3-7(4)5-1-2-6-7;/h1-2H2;1H4
InChIKeyHWHQKCASHUZYSK-UHFFFAOYSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.52
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-1,3,2-dioxaphospholane 2-oxide
CID 81087
2-Ethoxy-1,3,2-dioxaphospholane 2-Oxide
CID 10034799
1,3,2-Dioxaphospholane, 2-methyl-, 2-oxide
CID 12616942
2-Methoxy-1,3,2lambda~5~-dioxaphospholan-2-one
CID 13348298
1,3,2-Dioxaphospholane, 2-oxide
CID 6335925
(4R,5R)-2-Chloro-4,5-dimethyl-1,3,2-dioxaphospholane 2-oxide
CID 541638
Ethyl methyl chlorophosphonate
CID 12705480
Anderson-Shapiro reagent
CID 12032176
(4S,5R)-2-chloro-4,5-dimethyl-1,3,2lambda5-dioxaphospholane 2-oxide
CID 23416061
2-Chloro-1,3,2-dioxaphospholane 2-oxide-d4, 98 atom % D, 90% (CP)
CID 58185137
(2-Oxo-1,3,2lambda5-dioxaphospholan-2-yl) hypochlorite
CID 69647847
2-Chloro-4-deuterio-1,3,2lambda5-dioxaphospholane 2-oxide
CID 123782628

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3,2λ5-dioxaphospholane 2-oxide;methane?
The IUPAC name of 2-chloro-1,3,2λ5-dioxaphospholane 2-oxide;methane (CID 158606603) is 2-chloro-1,3,2λ5-dioxaphospholane 2-oxide;methane.
What is the SMILES notation for 2-chloro-1,3,2λ5-dioxaphospholane 2-oxide;methane?
The canonical SMILES for 2-chloro-1,3,2λ5-dioxaphospholane 2-oxide;methane is C.O=P1(Cl)OCCO1.
What is the InChIKey of 2-chloro-1,3,2λ5-dioxaphospholane 2-oxide;methane?
The InChIKey is HWHQKCASHUZYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClO3P.CH4/c3-7(4)5-1-2-6-7;/h1-2H2;1H4.
What are the key properties of 2-chloro-1,3,2λ5-dioxaphospholane 2-oxide;methane?
2-chloro-1,3,2λ5-dioxaphospholane 2-oxide;methane has a molecular weight of 158.52 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3,2λ5-dioxaphospholane 2-oxide;methane is sourced from PubChem (CID 158606603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).