methane;4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexane-1,2-diol

C21H60O4Si3 — CID 159937840

IUPACmethane;4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexane-1,2-diol
SMILESC.C.C.C.C.C.C[Si](C)(C)O[Si](C)(CCC1CCC(O)C(O)C1)O[Si](C)(C)C
InChIInChI=1S/C15H36O4Si3.6CH4/c1-20(2,3)18-22(7,19-21(4,5)6)11-10-13-8-9-14(16)15(17)12-13;;;;;;/h13-17H,8-12H2,1-7H3;6*1H4
InChIKeyOAMGXTZZYANMLU-UHFFFAOYSA-N
MW460.97 g/mol
LogP7.49
Rot. Bonds7

About methane;4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexane-1,2-diol

methane;4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexane-1,2-diol (PubChem CID 159937840) has the molecular formula C21H60O4Si3 and a molecular weight of 460.97 g/mol. Its IUPAC name is methane;4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexane-1,2-diol.

Molecular Properties

Compound Namemethane;4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexane-1,2-diol
PubChem CID159937840
Molecular FormulaC21H60O4Si3
Molecular Weight460.97 g/mol
Exact Mass460.38
IUPAC Namemethane;4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexane-1,2-diol
SMILESC.C.C.C.C.C.C[Si](C)(C)O[Si](C)(CCC1CCC(O)C(O)C1)O[Si](C)(C)C
InChIInChI=1S/C15H36O4Si3.6CH4/c1-20(2,3)18-22(7,19-21(4,5)6)11-10-13-8-9-14(16)15(17)12-13;;;;;;/h13-17H,8-12H2,1-7H3;6*1H4
InChIKeyOAMGXTZZYANMLU-UHFFFAOYSA-N
XLogP7.49
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.97
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexyl] 2-methylprop-2-enoate
CID 54265207
[dimethyl(trimethylsilyloxy)silyl]oxy-[methoxy(dimethyl)silyl]oxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 18710036
[dimethyl(silyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 158590504
[2-hydroxy-4-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-[2-hydroxy-5-[2-[hydroxy(dimethyl)silyl]ethyl]cyclohexyl]-dimethylazanium
CID 58870559
CID 20793304
CID 20793304
CID 20793302
CID 20793302
[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane
CID 140841095
3-(3,4-dihydroxycyclohexyl)propyl prop-2-enoate
CID 141157724
2-methoxy-4-(2-triethoxysilylethyl)cyclohexan-1-ol
CID 141485190
1-[2-[methoxy(dimethyl)silyl]ethoxy]propan-2-ol;4-[2-[methoxy(dimethyl)silyl]ethyl]-2-methylcyclohexan-1-ol
CID 161271829
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774411
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774414

Frequently Asked Questions

What is the IUPAC name of methane;4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexane-1,2-diol?
The IUPAC name of methane;4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexane-1,2-diol (CID 159937840) is methane;4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexane-1,2-diol.
What is the SMILES notation for methane;4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexane-1,2-diol?
The canonical SMILES for methane;4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexane-1,2-diol is C.C.C.C.C.C.C[Si](C)(C)O[Si](C)(CCC1CCC(O)C(O)C1)O[Si](C)(C)C.
What is the InChIKey of methane;4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexane-1,2-diol?
The InChIKey is OAMGXTZZYANMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36O4Si3.6CH4/c1-20(2,3)18-22(7,19-21(4,5)6)11-10-13-8-9-14(16)15(17)12-13;;;;;;/h13-17H,8-12H2,1-7H3;6*1H4.
What are the key properties of methane;4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexane-1,2-diol?
methane;4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexane-1,2-diol has a molecular weight of 460.97 g/mol, XLogP of 7.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexane-1,2-diol is sourced from PubChem (CID 159937840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).