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

C9H18O6P2 — CID 58879095

IUPAC3,9-diethyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide
SMILESCCP1(=O)OCC2(CO1)COP(=O)(CC)OC2
InChIInChI=1S/C9H18O6P2/c1-3-16(10)12-5-9(6-13-16)7-14-17(11,4-2)15-8-9/h3-8H2,1-2H3
InChIKeyHEFHCIWKUDQRIP-UHFFFAOYSA-N
MW284.18 g/mol
LogP2.49
Rot. Bonds2

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

3,9-diethyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide (PubChem CID 58879095) has the molecular formula C9H18O6P2 and a molecular weight of 284.18 g/mol. Its IUPAC name is 3,9-diethyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide.

Molecular Properties

Compound Name3,9-diethyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide
PubChem CID58879095
Molecular FormulaC9H18O6P2
Molecular Weight284.18 g/mol
Exact Mass284.06
IUPAC Name3,9-diethyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide
SMILESCCP1(=O)OCC2(CO1)COP(=O)(CC)OC2
InChIInChI=1S/C9H18O6P2/c1-3-16(10)12-5-9(6-13-16)7-14-17(11,4-2)15-8-9/h3-8H2,1-2H3
InChIKeyHEFHCIWKUDQRIP-UHFFFAOYSA-N
XLogP2.49
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,9-diethyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide?
The IUPAC name of 3,9-diethyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide (CID 58879095) is 3,9-diethyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide.
What is the SMILES notation for 3,9-diethyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide?
The canonical SMILES for 3,9-diethyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide is CCP1(=O)OCC2(CO1)COP(=O)(CC)OC2.
What is the InChIKey of 3,9-diethyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide?
The InChIKey is HEFHCIWKUDQRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O6P2/c1-3-16(10)12-5-9(6-13-16)7-14-17(11,4-2)15-8-9/h3-8H2,1-2H3.
What are the key properties of 3,9-diethyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide?
3,9-diethyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide has a molecular weight of 284.18 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diethyl-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide is sourced from PubChem (CID 58879095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).