(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate

C5H8ClO5P — CID 129043470

IUPAC(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate
SMILESO=C(Cl)OCC1COP(=O)(O)C1
InChIInChI=1S/C5H8ClO5P/c6-5(7)10-1-4-2-11-12(8,9)3-4/h4H,1-3H2,(H,8,9)
InChIKeyZAVDWORXRKPERY-UHFFFAOYSA-N
MW214.54 g/mol
LogP1.19
Rot. Bonds2

About (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate

(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate (PubChem CID 129043470) has the molecular formula C5H8ClO5P and a molecular weight of 214.54 g/mol. Its IUPAC name is (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate.

Molecular Properties

Compound Name(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate
PubChem CID129043470
Molecular FormulaC5H8ClO5P
Molecular Weight214.54 g/mol
Exact Mass213.98
IUPAC Name(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate
SMILESO=C(Cl)OCC1COP(=O)(O)C1
InChIInChI=1S/C5H8ClO5P/c6-5(7)10-1-4-2-11-12(8,9)3-4/h4H,1-3H2,(H,8,9)
InChIKeyZAVDWORXRKPERY-UHFFFAOYSA-N
XLogP1.19
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.54
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopropylmethyl carbonochloridate
CID 15917591
[3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl carbonochloridate
CID 13472877
sodium (2-oxido-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl octadeca-2,4,6,8,10,12,14,16-octaynoate
CID 140657329
[(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol
CID 138632639
2-cyclohexylethyl carbonochloridate
CID 19994353
bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride
CID 155286842
pyrrolidin-2-ylmethyl carbonochloridate
CID 175149666
oxiran-2-ylmethoxy carbonochloridate
CID 87599534
ethyl carbonochloridate;oxirane
CID 174958217
(3S,5S)-2-hydroxy-3-methyl-2-oxo-1,2λ5-oxaphosphinan-5-amine
CID 101188020
bis(7-thiabicyclo[4.1.0]heptan-3-ylmethyl) propanedioate
CID 144517445
cyclohexylmethyl N,N-dimethylcarbamate
CID 12696074

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate?
The IUPAC name of (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate (CID 129043470) is (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate.
What is the SMILES notation for (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate?
The canonical SMILES for (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate is O=C(Cl)OCC1COP(=O)(O)C1.
What is the InChIKey of (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate?
The InChIKey is ZAVDWORXRKPERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClO5P/c6-5(7)10-1-4-2-11-12(8,9)3-4/h4H,1-3H2,(H,8,9).
What are the key properties of (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate?
(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate has a molecular weight of 214.54 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate is sourced from PubChem (CID 129043470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).