2-[2-(2-chloroethoxy)propan-2-yl]-1,3,2lambda5-dioxaphospholane 2-oxide

C7H14ClO4P — CID 13143327

IUPAC2-[2-(2-chloroethoxy)propan-2-yl]-1,3,2lambda5-dioxaphospholane 2-oxide
SMILESCC(C)(OCCCl)P1(=O)OCCO1
InChIInChI=1S/C7H14ClO4P/c1-7(2,10-4-3-8)13(9)11-5-6-12-13/h3-6H2,1-2H3
InChIKeyZEVUYXLOBWBKLF-UHFFFAOYSA-N
MW228.61 g/mol
LogP2.22
Rot. Bonds4

About 2-[2-(2-chloroethoxy)propan-2-yl]-1,3,2lambda5-dioxaphospholane 2-oxide

2-[2-(2-chloroethoxy)propan-2-yl]-1,3,2lambda5-dioxaphospholane 2-oxide (PubChem CID 13143327) has the molecular formula C7H14ClO4P and a molecular weight of 228.61 g/mol. Its IUPAC name is 2-[2-(2-chloroethoxy)propan-2-yl]-1,3,2lambda5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name2-[2-(2-chloroethoxy)propan-2-yl]-1,3,2lambda5-dioxaphospholane 2-oxide
PubChem CID13143327
Molecular FormulaC7H14ClO4P
Molecular Weight228.61 g/mol
Exact Mass228.03
IUPAC Name2-[2-(2-chloroethoxy)propan-2-yl]-1,3,2lambda5-dioxaphospholane 2-oxide
SMILESCC(C)(OCCCl)P1(=O)OCCO1
InChIInChI=1S/C7H14ClO4P/c1-7(2,10-4-3-8)13(9)11-5-6-12-13/h3-6H2,1-2H3
InChIKeyZEVUYXLOBWBKLF-UHFFFAOYSA-N
XLogP2.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethoxy)-3-methyl-1,4,2λ5-dioxaphosphinane 2-oxide
CID 12653282
1-chloro-2-(2-chloroethoxy)-2-methylpropane
CID 4569200
2-(2-chloroethoxy)-2-ethylbutanoic acid
CID 83226256
CID 21115733
CID 21115733
2-(2-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide
CID 71446406
2-tert-butyl-1,3,2λ5-dioxaphosphetane 2-oxide
CID 165093317
2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide
CID 118422686
2-chloro-1,3,2λ5-dioxaphospholane 2-oxide;methane
CID 158606603
2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanol
CID 59760775
2-(3-methylsulfanylpropoxy)-1,3,2λ5-dioxaphospholane 2-oxide
CID 169097412
2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide
CID 141410723
2-(2-chloroethoxy)-2-methylpropane;2-(chloromethoxy)-2-methylpropane;2-(3-chloropropoxy)-2-methylpropane;1-[(2-methylpropan-2-yl)oxy]butane
CID 158473936

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroethoxy)propan-2-yl]-1,3,2lambda5-dioxaphospholane 2-oxide?
The IUPAC name of 2-[2-(2-chloroethoxy)propan-2-yl]-1,3,2lambda5-dioxaphospholane 2-oxide (CID 13143327) is 2-[2-(2-chloroethoxy)propan-2-yl]-1,3,2lambda5-dioxaphospholane 2-oxide.
What is the SMILES notation for 2-[2-(2-chloroethoxy)propan-2-yl]-1,3,2lambda5-dioxaphospholane 2-oxide?
The canonical SMILES for 2-[2-(2-chloroethoxy)propan-2-yl]-1,3,2lambda5-dioxaphospholane 2-oxide is CC(C)(OCCCl)P1(=O)OCCO1.
What is the InChIKey of 2-[2-(2-chloroethoxy)propan-2-yl]-1,3,2lambda5-dioxaphospholane 2-oxide?
The InChIKey is ZEVUYXLOBWBKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClO4P/c1-7(2,10-4-3-8)13(9)11-5-6-12-13/h3-6H2,1-2H3.
What are the key properties of 2-[2-(2-chloroethoxy)propan-2-yl]-1,3,2lambda5-dioxaphospholane 2-oxide?
2-[2-(2-chloroethoxy)propan-2-yl]-1,3,2lambda5-dioxaphospholane 2-oxide has a molecular weight of 228.61 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethoxy)propan-2-yl]-1,3,2lambda5-dioxaphospholane 2-oxide is sourced from PubChem (CID 13143327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).