2-chloro-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium

C5H11ClO3P+ — CID 87522037

IUPAC2-chloro-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium
SMILESCC1(C)CO[P+](O)(Cl)OC1
InChIInChI=1S/C5H11ClO3P/c1-5(2)3-8-10(6,7)9-4-5/h7H,3-4H2,1-2H3/q+1
InChIKeyCMILUBWWCPZIGO-UHFFFAOYSA-N
MW185.57 g/mol
LogP1.97
Rot. Bonds

About 2-chloro-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium

2-chloro-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium (PubChem CID 87522037) has the molecular formula C5H11ClO3P+ and a molecular weight of 185.57 g/mol. Its IUPAC name is 2-chloro-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium.

Molecular Properties

Compound Name2-chloro-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium
PubChem CID87522037
Molecular FormulaC5H11ClO3P+
Molecular Weight185.57 g/mol
Exact Mass185.01
IUPAC Name2-chloro-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium
SMILESCC1(C)CO[P+](O)(Cl)OC1
InChIInChI=1S/C5H11ClO3P/c1-5(2)3-8-10(6,7)9-4-5/h7H,3-4H2,1-2H3/q+1
InChIKeyCMILUBWWCPZIGO-UHFFFAOYSA-N
XLogP1.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.57
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium?
The IUPAC name of 2-chloro-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium (CID 87522037) is 2-chloro-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium.
What is the SMILES notation for 2-chloro-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium?
The canonical SMILES for 2-chloro-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium is CC1(C)CO[P+](O)(Cl)OC1.
What is the InChIKey of 2-chloro-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium?
The InChIKey is CMILUBWWCPZIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO3P/c1-5(2)3-8-10(6,7)9-4-5/h7H,3-4H2,1-2H3/q+1.
What are the key properties of 2-chloro-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium?
2-chloro-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium has a molecular weight of 185.57 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium is sourced from PubChem (CID 87522037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).