methane;[methoxy(dimethyl)silyl] acetate;[methoxy(dimethyl)silyl] decanoate;[methoxy(dimethyl)silyl] octadeca-2,4,6,8,10,12,14,16-octaynoate;molecular hydrogen

C45H108O9Si3 — CID 159604468

IUPACmethane;[methoxy(dimethyl)silyl] acetate;[methoxy(dimethyl)silyl] decanoate;[methoxy(dimethyl)silyl] octadeca-2,4,6,8,10,12,14,16-octaynoate;molecular hydrogen
SMILESC.C.C.C.C.C.CC#CC#CC#CC#CC#CC#CC#CC#CC(=O)O[Si](C)(C)OC.CCCCCCCCCC(=O)O[Si](C)(C)OC.CO[Si](C)(C)OC(C)=O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C21H12O3Si.C13H28O3Si.C5H12O3Si.6CH4.16H2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)24-25(3,4)23-2;1-5-6-7-8-9-10-11-12-13(14)16-17(3,4)15-2;1-5(6)8-9(3,4)7-2;;;;;;;;;;;;;;;;;;;;;;/h1-4H3;5-12H2,1-4H3;1-4H3;6*1H4;16*1H
InChIKeyMLXAVGOXDLYQGX-UHFFFAOYSA-N
MW877.61 g/mol
LogP13.59
Rot. Bonds14

About methane;[methoxy(dimethyl)silyl] acetate;[methoxy(dimethyl)silyl] decanoate;[methoxy(dimethyl)silyl] octadeca-2,4,6,8,10,12,14,16-octaynoate;molecular hydrogen

methane;[methoxy(dimethyl)silyl] acetate;[methoxy(dimethyl)silyl] decanoate;[methoxy(dimethyl)silyl] octadeca-2,4,6,8,10,12,14,16-octaynoate;molecular hydrogen (PubChem CID 159604468) has the molecular formula C45H108O9Si3 and a molecular weight of 877.61 g/mol. Its IUPAC name is methane;[methoxy(dimethyl)silyl] acetate;[methoxy(dimethyl)silyl] decanoate;[methoxy(dimethyl)silyl] octadeca-2,4,6,8,10,12,14,16-octaynoate;molecular hydrogen.

Molecular Properties

Compound Namemethane;[methoxy(dimethyl)silyl] acetate;[methoxy(dimethyl)silyl] decanoate;[methoxy(dimethyl)silyl] octadeca-2,4,6,8,10,12,14,16-octaynoate;molecular hydrogen
PubChem CID159604468
Molecular FormulaC45H108O9Si3
Molecular Weight877.61 g/mol
Exact Mass876.73
IUPAC Namemethane;[methoxy(dimethyl)silyl] acetate;[methoxy(dimethyl)silyl] decanoate;[methoxy(dimethyl)silyl] octadeca-2,4,6,8,10,12,14,16-octaynoate;molecular hydrogen
SMILESC.C.C.C.C.C.CC#CC#CC#CC#CC#CC#CC#CC#CC(=O)O[Si](C)(C)OC.CCCCCCCCCC(=O)O[Si](C)(C)OC.CO[Si](C)(C)OC(C)=O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C21H12O3Si.C13H28O3Si.C5H12O3Si.6CH4.16H2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)24-25(3,4)23-2;1-5-6-7-8-9-10-11-12-13(14)16-17(3,4)15-2;1-5(6)8-9(3,4)7-2;;;;;;;;;;;;;;;;;;;;;;/h1-4H3;5-12H2,1-4H3;1-4H3;6*1H4;16*1H
InChIKeyMLXAVGOXDLYQGX-UHFFFAOYSA-N
XLogP13.59
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.61
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

ethanethioic S-acid;[(2S)-3-hydroxy-2-pentadecanoyloxypropyl] hexadeca-2,4,6,8,10,12,14-heptaynoate;molecular hydrogen
CID 160762013
[(2S)-2-dodecanoyloxy-3-hydroxypropyl] hexadeca-2,4,6,8,10,12,14-heptaynoate;ethanethioic S-acid;molecular hydrogen
CID 158956333
ethanethioic S-acid;[(2S)-1-hydroxy-3-tetradeca-2,4,6,8,10,12-hexaynoyloxypropan-2-yl] hexadecanoate;molecular hydrogen
CID 158408473
[(2S)-2-dodecanoyloxy-3-hydroxypropyl] hexadeca-2,4,6,8,10,12,14-heptaynoate;molecular hydrogen;sulfane
CID 158243664
azane;[(2S)-1-dodeca-2,4,6,8,10-pentaynoyloxy-3-hydroxypropan-2-yl] tridecanoate;molecular hydrogen
CID 160762380
[(2S)-1-hydroxy-3-tetradeca-2,4,6,8,10,12-hexaynoyloxypropan-2-yl] tetradecanoate;molecular hydrogen;sulfane
CID 158210184
dotriaconta-16,18,20,22,24,26,28,30-octayn-15-one
CID 162497196
disodium;acetamide;[(2R)-3-dodeca-2,4,6,8,10-pentaynoyloxy-2-tridecanoyloxypropyl] phosphate;molecular hydrogen
CID 159747403
disodium;acetamide;[(2R)-2-dodecanoyloxy-3-hexadeca-2,4,6,8,10,12,14-heptaynoyloxypropyl] phosphate;molecular hydrogen
CID 162070354
disodium;acetamide;[(2R)-3-hexadeca-2,4,6,8,10,12,14-heptaynoyloxy-2-tridecanoyloxypropyl] phosphate;molecular hydrogen
CID 159746740
disodium;[(2S)-3-dodeca-2,4,6,8,10-pentaynoyloxy-2-tridecanoyloxypropyl] phosphate;ethanethioic S-acid;molecular hydrogen
CID 160939957
disodium;molecular hydrogen;[(2S)-3-octa-2,4,6-triynoyloxy-2-tetradecanoyloxypropyl] phosphate;sulfane
CID 162218539

Frequently Asked Questions

What is the IUPAC name of methane;[methoxy(dimethyl)silyl] acetate;[methoxy(dimethyl)silyl] decanoate;[methoxy(dimethyl)silyl] octadeca-2,4,6,8,10,12,14,16-octaynoate;molecular hydrogen?
The IUPAC name of methane;[methoxy(dimethyl)silyl] acetate;[methoxy(dimethyl)silyl] decanoate;[methoxy(dimethyl)silyl] octadeca-2,4,6,8,10,12,14,16-octaynoate;molecular hydrogen (CID 159604468) is methane;[methoxy(dimethyl)silyl] acetate;[methoxy(dimethyl)silyl] decanoate;[methoxy(dimethyl)silyl] octadeca-2,4,6,8,10,12,14,16-octaynoate;molecular hydrogen.
What is the SMILES notation for methane;[methoxy(dimethyl)silyl] acetate;[methoxy(dimethyl)silyl] decanoate;[methoxy(dimethyl)silyl] octadeca-2,4,6,8,10,12,14,16-octaynoate;molecular hydrogen?
The canonical SMILES for methane;[methoxy(dimethyl)silyl] acetate;[methoxy(dimethyl)silyl] decanoate;[methoxy(dimethyl)silyl] octadeca-2,4,6,8,10,12,14,16-octaynoate;molecular hydrogen is C.C.C.C.C.C.CC#CC#CC#CC#CC#CC#CC#CC#CC(=O)O[Si](C)(C)OC.CCCCCCCCCC(=O)O[Si](C)(C)OC.CO[Si](C)(C)OC(C)=O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of methane;[methoxy(dimethyl)silyl] acetate;[methoxy(dimethyl)silyl] decanoate;[methoxy(dimethyl)silyl] octadeca-2,4,6,8,10,12,14,16-octaynoate;molecular hydrogen?
The InChIKey is MLXAVGOXDLYQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12O3Si.C13H28O3Si.C5H12O3Si.6CH4.16H2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)24-25(3,4)23-2;1-5-6-7-8-9-10-11-12-13(14)16-17(3,4)15-2;1-5(6)8-9(3,4)7-2;;;;;;;;;;;;;;;;;;;;;;/h1-4H3;5-12H2,1-4H3;1-4H3;6*1H4;16*1H.
What are the key properties of methane;[methoxy(dimethyl)silyl] acetate;[methoxy(dimethyl)silyl] decanoate;[methoxy(dimethyl)silyl] octadeca-2,4,6,8,10,12,14,16-octaynoate;molecular hydrogen?
methane;[methoxy(dimethyl)silyl] acetate;[methoxy(dimethyl)silyl] decanoate;[methoxy(dimethyl)silyl] octadeca-2,4,6,8,10,12,14,16-octaynoate;molecular hydrogen has a molecular weight of 877.61 g/mol, XLogP of 13.59, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[methoxy(dimethyl)silyl] acetate;[methoxy(dimethyl)silyl] decanoate;[methoxy(dimethyl)silyl] octadeca-2,4,6,8,10,12,14,16-octaynoate;molecular hydrogen is sourced from PubChem (CID 159604468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).