4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide

C8H15O7PS — CID 172548148

IUPAC4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide
SMILESCC1(C)COP(=O)(OC2COS(=O)(=O)C2)OC1
InChIInChI=1S/C8H15O7PS/c1-8(2)5-12-16(9,13-6-8)15-7-3-14-17(10,11)4-7/h7H,3-6H2,1-2H3
InChIKeyBZGCNUDPINQZQF-UHFFFAOYSA-N
MW286.24 g/mol
LogP0.91
Rot. Bonds2

About 4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide

4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide (PubChem CID 172548148) has the molecular formula C8H15O7PS and a molecular weight of 286.24 g/mol. Its IUPAC name is 4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide.

Molecular Properties

Compound Name4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide
PubChem CID172548148
Molecular FormulaC8H15O7PS
Molecular Weight286.24 g/mol
Exact Mass286.03
IUPAC Name4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide
SMILESCC1(C)COP(=O)(OC2COS(=O)(=O)C2)OC1
InChIInChI=1S/C8H15O7PS/c1-8(2)5-12-16(9,13-6-8)15-7-3-14-17(10,11)4-7/h7H,3-6H2,1-2H3
InChIKeyBZGCNUDPINQZQF-UHFFFAOYSA-N
XLogP0.91
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide?
The IUPAC name of 4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide (CID 172548148) is 4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide.
What is the SMILES notation for 4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide?
The canonical SMILES for 4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide is CC1(C)COP(=O)(OC2COS(=O)(=O)C2)OC1.
What is the InChIKey of 4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide?
The InChIKey is BZGCNUDPINQZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O7PS/c1-8(2)5-12-16(9,13-6-8)15-7-3-14-17(10,11)4-7/h7H,3-6H2,1-2H3.
What are the key properties of 4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide?
4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide has a molecular weight of 286.24 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide is sourced from PubChem (CID 172548148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).