3,9-dipropyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide

C11H22O6P2 — CID 102139241

IUPAC3,9-dipropyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide
SMILESCCCP1(=O)OCC2(CO1)COP(=O)(CCC)OC2
InChIInChI=1S/C11H22O6P2/c1-3-5-18(12)14-7-11(8-15-18)9-16-19(13,6-4-2)17-10-11/h3-10H2,1-2H3
InChIKeyWUMGWWXRAPTZBU-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.27
Rot. Bonds4

About 3,9-dipropyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide

3,9-dipropyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide (PubChem CID 102139241) has the molecular formula C11H22O6P2 and a molecular weight of 312.24 g/mol. Its IUPAC name is 3,9-dipropyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide.

Molecular Properties

Compound Name3,9-dipropyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide
PubChem CID102139241
Molecular FormulaC11H22O6P2
Molecular Weight312.24 g/mol
Exact Mass312.09
IUPAC Name3,9-dipropyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide
SMILESCCCP1(=O)OCC2(CO1)COP(=O)(CCC)OC2
InChIInChI=1S/C11H22O6P2/c1-3-5-18(12)14-7-11(8-15-18)9-16-19(13,6-4-2)17-10-11/h3-10H2,1-2H3
InChIKeyWUMGWWXRAPTZBU-UHFFFAOYSA-N
XLogP3.27
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Bis((5-ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl) methyl phosphonate P,P'-dioxide
CID 94526
Pentaerythritol spirobis(methylphosphonate)
CID 76350
2,2'-Oxybis(5,5-dimethyl-1,3,2-dioxaphosphorinane) 2,2'-dioxide
CID 77715
1,3,2-Dioxaphosphorinane, 2,2'-((2,2-dimethyl-1,3-propanediyl)bis(oxy))bis(5,5-dimethyl-
CID 101091
2-[(5,5-Dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinan-2-one
CID 2778008
2,2'-Bi-1,3,2-dioxaphosphorinane, 5,5,5',5'-tetramethyl-, 2,2'-dioxide
CID 549736
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-diethoxy-
CID 81536
1,3,2-Dioxaphosphorinane, 2,2'-[(2,2-dimethyl-1,3-propanediyl)bis(oxy)]bis[5,5-dimethyl-, 2,2'-dioxide
CID 116956
2-[(5,5-Dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 3832089
(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate
CID 371770
3,9-Bis(1-hydroxy-1-methylethyl)-2,4,8,10-tetraoxa-3lambda~5~,9lambda~5~-diphosphaspiro[5.5]undecane-3,9-dione
CID 15994036
5,5-Dimethyl-2-propyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 14892818

Frequently Asked Questions

What is the IUPAC name of 3,9-dipropyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide?
The IUPAC name of 3,9-dipropyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide (CID 102139241) is 3,9-dipropyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide.
What is the SMILES notation for 3,9-dipropyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide?
The canonical SMILES for 3,9-dipropyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide is CCCP1(=O)OCC2(CO1)COP(=O)(CCC)OC2.
What is the InChIKey of 3,9-dipropyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide?
The InChIKey is WUMGWWXRAPTZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O6P2/c1-3-5-18(12)14-7-11(8-15-18)9-16-19(13,6-4-2)17-10-11/h3-10H2,1-2H3.
What are the key properties of 3,9-dipropyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide?
3,9-dipropyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide has a molecular weight of 312.24 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dipropyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide is sourced from PubChem (CID 102139241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).