3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane

C8H18O4P2 — CID 158576549

IUPAC3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane
SMILESC.CP1OCC2(CO1)COP(C)OC2
InChIInChI=1S/C7H14O4P2.CH4/c1-12-8-3-7(4-9-12)5-10-13(2)11-6-7;/h3-6H2,1-2H3;1H4
InChIKeyHSSPUPCWCDCKSQ-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.59
Rot. Bonds

About 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane

3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane (PubChem CID 158576549) has the molecular formula C8H18O4P2 and a molecular weight of 240.18 g/mol. Its IUPAC name is 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane.

Molecular Properties

Compound Name3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane
PubChem CID158576549
Molecular FormulaC8H18O4P2
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane
SMILESC.CP1OCC2(CO1)COP(C)OC2
InChIInChI=1S/C7H14O4P2.CH4/c1-12-8-3-7(4-9-12)5-10-13(2)11-6-7;/h3-6H2,1-2H3;1H4
InChIKeyHSSPUPCWCDCKSQ-UHFFFAOYSA-N
XLogP2.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-5,7-dioxa-6-phosphaspiro[2.5]octane
CID 170747106
2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane
CID 23420038
2-methyl-1,3,2-dioxaphosphetane
CID 54570316
5-ethyl-5-[(5-ethyl-2-methyl-1,3,2-dioxaphosphinan-5-yl)oxy-methylphosphoryl]oxy-2-methyl-1,3,2-dioxaphosphinane
CID 154432372
(3-dimethoxyphosphoryloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-9-yl) dimethyl phosphate
CID 164758612
3-chloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 88709206
3,9-diphenyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 12518092
3-ethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 88915075
3,9-dicyclohexyloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 22899546
1,4-dimethyl-2,6,7-trioxa-1-phosphoniabicyclo[2.2.2]octane
CID 23415185
3,9-bis(1-phenylethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 87909825
methane;2-methyl-1,3,2-dioxaphospholan-4-one
CID 160609586

Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane?
The IUPAC name of 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane (CID 158576549) is 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane.
What is the SMILES notation for 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane?
The canonical SMILES for 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane is C.CP1OCC2(CO1)COP(C)OC2.
What is the InChIKey of 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane?
The InChIKey is HSSPUPCWCDCKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4P2.CH4/c1-12-8-3-7(4-9-12)5-10-13(2)11-6-7;/h3-6H2,1-2H3;1H4.
What are the key properties of 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane?
3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane has a molecular weight of 240.18 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane is sourced from PubChem (CID 158576549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).