methyl 2-[2-[bis(trimethylsilyloxy)methylsilyl]oxan-2-yl]silylprop-2-enoate

C16H36O5Si4 — CID 173377562

IUPACmethyl 2-[2-[bis(trimethylsilyloxy)methylsilyl]oxan-2-yl]silylprop-2-enoate
SMILESC=C([SiH2]C1([SiH2]C(O[Si](C)(C)C)O[Si](C)(C)C)CCCCO1)C(=O)OC
InChIInChI=1S/C16H36O5Si4/c1-13(14(17)18-2)22-16(11-9-10-12-19-16)23-15(20-24(3,4)5)21-25(6,7)8/h15H,1,9-12,22-23H2,2-8H3
InChIKeyKSCCPHVLCGKWEI-UHFFFAOYSA-N
MW420.80 g/mol
LogP1.85
Rot. Bonds9

About methyl 2-[2-[bis(trimethylsilyloxy)methylsilyl]oxan-2-yl]silylprop-2-enoate

methyl 2-[2-[bis(trimethylsilyloxy)methylsilyl]oxan-2-yl]silylprop-2-enoate (PubChem CID 173377562) has the molecular formula C16H36O5Si4 and a molecular weight of 420.80 g/mol. Its IUPAC name is methyl 2-[2-[bis(trimethylsilyloxy)methylsilyl]oxan-2-yl]silylprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[2-[bis(trimethylsilyloxy)methylsilyl]oxan-2-yl]silylprop-2-enoate
PubChem CID173377562
Molecular FormulaC16H36O5Si4
Molecular Weight420.80 g/mol
Exact Mass420.16
IUPAC Namemethyl 2-[2-[bis(trimethylsilyloxy)methylsilyl]oxan-2-yl]silylprop-2-enoate
SMILESC=C([SiH2]C1([SiH2]C(O[Si](C)(C)C)O[Si](C)(C)C)CCCCO1)C(=O)OC
InChIInChI=1S/C16H36O5Si4/c1-13(14(17)18-2)22-16(11-9-10-12-19-16)23-15(20-24(3,4)5)21-25(6,7)8/h15H,1,9-12,22-23H2,2-8H3
InChIKeyKSCCPHVLCGKWEI-UHFFFAOYSA-N
XLogP1.85
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.80
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate
CID 174530611
(2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate
CID 141130139
methyl 1-(3-methoxy-3-oxoprop-1-en-2-yl)cyclohexane-1-carboxylate
CID 105483862
methyl 2-(2-methoxyoxan-2-yl)acetate
CID 10965266
[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140677617
methyl (2-methyloxolan-2-yl) carbonate
CID 139836783
bis[dimethyl-(2-methylsilyloxan-2-yl)silyl]methanone
CID 175245714
methyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate
CID 100934695
(2-aminosilyloxan-2-yl) hydrogen carbonate
CID 173333928
methyl 5-methyl-2-(2-silyloxan-2-yl)hexanoate
CID 175063682
2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one
CID 174738862
methyl (1-methylcycloheptyl) carbonate
CID 172553116

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[bis(trimethylsilyloxy)methylsilyl]oxan-2-yl]silylprop-2-enoate?
The IUPAC name of methyl 2-[2-[bis(trimethylsilyloxy)methylsilyl]oxan-2-yl]silylprop-2-enoate (CID 173377562) is methyl 2-[2-[bis(trimethylsilyloxy)methylsilyl]oxan-2-yl]silylprop-2-enoate.
What is the SMILES notation for methyl 2-[2-[bis(trimethylsilyloxy)methylsilyl]oxan-2-yl]silylprop-2-enoate?
The canonical SMILES for methyl 2-[2-[bis(trimethylsilyloxy)methylsilyl]oxan-2-yl]silylprop-2-enoate is C=C([SiH2]C1([SiH2]C(O[Si](C)(C)C)O[Si](C)(C)C)CCCCO1)C(=O)OC.
What is the InChIKey of methyl 2-[2-[bis(trimethylsilyloxy)methylsilyl]oxan-2-yl]silylprop-2-enoate?
The InChIKey is KSCCPHVLCGKWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O5Si4/c1-13(14(17)18-2)22-16(11-9-10-12-19-16)23-15(20-24(3,4)5)21-25(6,7)8/h15H,1,9-12,22-23H2,2-8H3.
What are the key properties of methyl 2-[2-[bis(trimethylsilyloxy)methylsilyl]oxan-2-yl]silylprop-2-enoate?
methyl 2-[2-[bis(trimethylsilyloxy)methylsilyl]oxan-2-yl]silylprop-2-enoate has a molecular weight of 420.80 g/mol, XLogP of 1.85, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[bis(trimethylsilyloxy)methylsilyl]oxan-2-yl]silylprop-2-enoate is sourced from PubChem (CID 173377562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).