butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane

C24H66O8P2Si4 — CID 159148662

IUPACbutane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane
SMILESC.CCCC.CCOP(C)(C)=O.CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.C[Si](C)(C)OP(C)(C)=O.O=C=O
InChIInChI=1S/C9H26O2Si3.C5H15O2PSi.C4H11O2P.C4H10.CO2.CH4/c1-9-14(8,10-12(2,3)4)11-13(5,6)7;1-8(2,6)7-9(3,4)5;1-4-6-7(2,3)5;1-3-4-2;2-1-3;/h9H2,1-8H3;1-5H3;4H2,1-3H3;3-4H2,1-2H3;;1H4
InChIKeyKIZPKUPSOKWQNY-UHFFFAOYSA-N
MW657.08 g/mol
LogP9.58
Rot. Bonds10

About butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane

butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane (PubChem CID 159148662) has the molecular formula C24H66O8P2Si4 and a molecular weight of 657.08 g/mol. Its IUPAC name is butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane.

Molecular Properties

Compound Namebutane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane
PubChem CID159148662
Molecular FormulaC24H66O8P2Si4
Molecular Weight657.08 g/mol
Exact Mass656.33
IUPAC Namebutane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane
SMILESC.CCCC.CCOP(C)(C)=O.CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.C[Si](C)(C)OP(C)(C)=O.O=C=O
InChIInChI=1S/C9H26O2Si3.C5H15O2PSi.C4H11O2P.C4H10.CO2.CH4/c1-9-14(8,10-12(2,3)4)11-13(5,6)7;1-8(2,6)7-9(3,4)5;1-4-6-7(2,3)5;1-3-4-2;2-1-3;/h9H2,1-8H3;1-5H3;4H2,1-3H3;3-4H2,1-2H3;;1H4
InChIKeyKIZPKUPSOKWQNY-UHFFFAOYSA-N
XLogP9.58
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.08
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethyl-methoxy-methyl-trimethylsilyloxysilane;methane
CID 159027398
1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane
CID 160513005
ethyl trimethylsilyl hydrogen phosphate
CID 19079822
bis[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-ethyl-methylsilyl]oxy-dimethylsilyl]oxy-ethyl-methylsilyl]oxy]-dimethylsilane
CID 59289806
bis(carbon dioxide);diethoxyphosphorylmethyl(trimethyl)silane;(Z)-hex-2-ene;methane
CID 161334100
bis[tert-butyl(dimethyl)silyl] ethyl phosphate;[tert-butyl(dimethyl)silyl] ethyl trimethylsilyl phosphate;trimethyl-[methyl(trimethylsilyloxy)phosphoryl]oxysilane
CID 159477136
bis([dimethyl(pentyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-ethyl-methylsilane);[dimethyl(trimethylsilyloxy)silyl]oxy-ethyl-methyl-trimethylsilyloxysilane;ethene
CID 90987548
CID 101187988
CID 101187988
methane;[methoxy(methyl)phosphoryl]oxy-trimethylsilane
CID 158342684
2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate
CID 174547612
1-[chloro(ethoxy)phosphoryl]pentane
CID 13101834
sulfur trioxide;triethyl phosphate
CID 86745268

Frequently Asked Questions

What is the IUPAC name of butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane?
The IUPAC name of butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane (CID 159148662) is butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane.
What is the SMILES notation for butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane?
The canonical SMILES for butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane is C.CCCC.CCOP(C)(C)=O.CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.C[Si](C)(C)OP(C)(C)=O.O=C=O.
What is the InChIKey of butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane?
The InChIKey is KIZPKUPSOKWQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H26O2Si3.C5H15O2PSi.C4H11O2P.C4H10.CO2.CH4/c1-9-14(8,10-12(2,3)4)11-13(5,6)7;1-8(2,6)7-9(3,4)5;1-4-6-7(2,3)5;1-3-4-2;2-1-3;/h9H2,1-8H3;1-5H3;4H2,1-3H3;3-4H2,1-2H3;;1H4.
What are the key properties of butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane?
butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane has a molecular weight of 657.08 g/mol, XLogP of 9.58, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane is sourced from PubChem (CID 159148662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).