3,9-bis(2-ethoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

C13H26O6P2 — CID 21491468

IUPAC3,9-bis(2-ethoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCCOCCP1OCC2(CO1)COP(CCOCC)OC2
InChIInChI=1S/C13H26O6P2/c1-3-14-5-7-20-16-9-13(10-17-20)11-18-21(19-12-13)8-6-15-4-2/h3-12H2,1-2H3
InChIKeyJUJWZIBCVWDSJP-UHFFFAOYSA-N
MW340.29 g/mol
LogP2.76
Rot. Bonds8

About 3,9-bis(2-ethoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

3,9-bis(2-ethoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (PubChem CID 21491468) has the molecular formula C13H26O6P2 and a molecular weight of 340.29 g/mol. Its IUPAC name is 3,9-bis(2-ethoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-bis(2-ethoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
PubChem CID21491468
Molecular FormulaC13H26O6P2
Molecular Weight340.29 g/mol
Exact Mass340.12
IUPAC Name3,9-bis(2-ethoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCCOCCP1OCC2(CO1)COP(CCOCC)OC2
InChIInChI=1S/C13H26O6P2/c1-3-14-5-7-20-16-9-13(10-17-20)11-18-21(19-12-13)8-6-15-4-2/h3-12H2,1-2H3
InChIKeyJUJWZIBCVWDSJP-UHFFFAOYSA-N
XLogP2.76
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-butoxyethyl)-9-(2-methoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 21491469
3-ethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 88915075
1,2-diethoxyethane;oxirane
CID 159897663
1,2-diethoxyethane;hydrofluoride
CID 175535770
2-ethoxyethanolate
CID 22392618
1,2-diethoxyethane;ethene
CID 158825770
sodium;1,2-diethoxyethane;hydride
CID 174903036
bis(2-ethoxyethanolate);iron(2+)
CID 160755483
lithium;ethoxyethane;chloride
CID 175344978
1-ethoxypropane;methane
CID 158784820
ethoxyethane;oxirane
CID 87097695
ethoxyethane
CID 18694919

Frequently Asked Questions

What is the IUPAC name of 3,9-bis(2-ethoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The IUPAC name of 3,9-bis(2-ethoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (CID 21491468) is 3,9-bis(2-ethoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.
What is the SMILES notation for 3,9-bis(2-ethoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The canonical SMILES for 3,9-bis(2-ethoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is CCOCCP1OCC2(CO1)COP(CCOCC)OC2.
What is the InChIKey of 3,9-bis(2-ethoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The InChIKey is JUJWZIBCVWDSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6P2/c1-3-14-5-7-20-16-9-13(10-17-20)11-18-21(19-12-13)8-6-15-4-2/h3-12H2,1-2H3.
What are the key properties of 3,9-bis(2-ethoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
3,9-bis(2-ethoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane has a molecular weight of 340.29 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis(2-ethoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is sourced from PubChem (CID 21491468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).