2-[3-(2-hydroxypropan-2-yl)-3,9-dioxo-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecan-9-yl]propan-2-ol

C11H22O8P2 — CID 15994036

IUPAC2-[3-(2-hydroxypropan-2-yl)-3,9-dioxo-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecan-9-yl]propan-2-ol
SMILESCC(C)(O)P1(=O)OCC2(CO1)COP(=O)(C(C)(C)O)OC2
InChIInChI=1S/C11H22O8P2/c1-9(2,12)20(14)16-5-11(6-17-20)7-18-21(15,19-8-11)10(3,4)13/h12-13H,5-8H2,1-4H3
InChIKeyXSTCQMIXQXXYCY-UHFFFAOYSA-N
MW344.24 g/mol
LogP1.91
Rot. Bonds2

About 2-[3-(2-hydroxypropan-2-yl)-3,9-dioxo-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecan-9-yl]propan-2-ol

2-[3-(2-hydroxypropan-2-yl)-3,9-dioxo-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecan-9-yl]propan-2-ol (PubChem CID 15994036) has the molecular formula C11H22O8P2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 2-[3-(2-hydroxypropan-2-yl)-3,9-dioxo-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecan-9-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(2-hydroxypropan-2-yl)-3,9-dioxo-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecan-9-yl]propan-2-ol
PubChem CID15994036
Molecular FormulaC11H22O8P2
Molecular Weight344.24 g/mol
Exact Mass344.08
IUPAC Name2-[3-(2-hydroxypropan-2-yl)-3,9-dioxo-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecan-9-yl]propan-2-ol
SMILESCC(C)(O)P1(=O)OCC2(CO1)COP(=O)(C(C)(C)O)OC2
InChIInChI=1S/C11H22O8P2/c1-9(2,12)20(14)16-5-11(6-17-20)7-18-21(15,19-8-11)10(3,4)13/h12-13H,5-8H2,1-4H3
InChIKeyXSTCQMIXQXXYCY-UHFFFAOYSA-N
XLogP1.91
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[3-(2-hydroxypropan-2-yl)-3,9-dioxo-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecan-9-yl]propan-2-ol?
The IUPAC name of 2-[3-(2-hydroxypropan-2-yl)-3,9-dioxo-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecan-9-yl]propan-2-ol (CID 15994036) is 2-[3-(2-hydroxypropan-2-yl)-3,9-dioxo-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecan-9-yl]propan-2-ol.
What is the SMILES notation for 2-[3-(2-hydroxypropan-2-yl)-3,9-dioxo-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecan-9-yl]propan-2-ol?
The canonical SMILES for 2-[3-(2-hydroxypropan-2-yl)-3,9-dioxo-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecan-9-yl]propan-2-ol is CC(C)(O)P1(=O)OCC2(CO1)COP(=O)(C(C)(C)O)OC2.
What is the InChIKey of 2-[3-(2-hydroxypropan-2-yl)-3,9-dioxo-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecan-9-yl]propan-2-ol?
The InChIKey is XSTCQMIXQXXYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O8P2/c1-9(2,12)20(14)16-5-11(6-17-20)7-18-21(15,19-8-11)10(3,4)13/h12-13H,5-8H2,1-4H3.
What are the key properties of 2-[3-(2-hydroxypropan-2-yl)-3,9-dioxo-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecan-9-yl]propan-2-ol?
2-[3-(2-hydroxypropan-2-yl)-3,9-dioxo-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecan-9-yl]propan-2-ol has a molecular weight of 344.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxypropan-2-yl)-3,9-dioxo-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecan-9-yl]propan-2-ol is sourced from PubChem (CID 15994036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).