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

C14H28O6P2 — CID 21491469

IUPAC3-(2-butoxyethyl)-9-(2-methoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCCCCOCCP1OCC2(COP(CCOC)OC2)CO1
InChIInChI=1S/C14H28O6P2/c1-3-4-5-16-7-9-22-19-12-14(13-20-22)10-17-21(18-11-14)8-6-15-2/h3-13H2,1-2H3
InChIKeyCKFPPJGRYDLFLF-UHFFFAOYSA-N
MW354.32 g/mol
LogP3.15
Rot. Bonds9

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

3-(2-butoxyethyl)-9-(2-methoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (PubChem CID 21491469) has the molecular formula C14H28O6P2 and a molecular weight of 354.32 g/mol. Its IUPAC name is 3-(2-butoxyethyl)-9-(2-methoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(2-butoxyethyl)-9-(2-methoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
PubChem CID21491469
Molecular FormulaC14H28O6P2
Molecular Weight354.32 g/mol
Exact Mass354.14
IUPAC Name3-(2-butoxyethyl)-9-(2-methoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCCCCOCCP1OCC2(COP(CCOC)OC2)CO1
InChIInChI=1S/C14H28O6P2/c1-3-4-5-16-7-9-22-19-12-14(13-20-22)10-17-21(18-11-14)8-6-15-2/h3-13H2,1-2H3
InChIKeyCKFPPJGRYDLFLF-UHFFFAOYSA-N
XLogP3.15
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 53.15
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

1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
CID 174801496
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
1-butoxy-4-methoxybutane
CID 13082830
1-butoxybutane;methoxymethane
CID 18401298
1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane
CID 157339506
1,2-dimethoxyethane;1-hexoxyhexane
CID 174800290
3-hexadecoxy-9-methoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 70884461
1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87464396
1-butoxybutane;oxane
CID 22595543
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 175220502
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethyl)-9-(2-methoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The IUPAC name of 3-(2-butoxyethyl)-9-(2-methoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (CID 21491469) is 3-(2-butoxyethyl)-9-(2-methoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.
What is the SMILES notation for 3-(2-butoxyethyl)-9-(2-methoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The canonical SMILES for 3-(2-butoxyethyl)-9-(2-methoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is CCCCOCCP1OCC2(COP(CCOC)OC2)CO1.
What is the InChIKey of 3-(2-butoxyethyl)-9-(2-methoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The InChIKey is CKFPPJGRYDLFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O6P2/c1-3-4-5-16-7-9-22-19-12-14(13-20-22)10-17-21(18-11-14)8-6-15-2/h3-13H2,1-2H3.
What are the key properties of 3-(2-butoxyethyl)-9-(2-methoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
3-(2-butoxyethyl)-9-(2-methoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane has a molecular weight of 354.32 g/mol, XLogP of 3.15, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethyl)-9-(2-methoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is sourced from PubChem (CID 21491469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).