methyl 4-trimethylsilyl-3-trimethylsilyloxybut-2-enoate

C11H24O3Si2 — CID 86021519

IUPACmethyl 4-trimethylsilyl-3-trimethylsilyloxybut-2-enoate
SMILESCOC(=O)C=C(C[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C11H24O3Si2/c1-13-11(12)8-10(9-15(2,3)4)14-16(5,6)7/h8H,9H2,1-7H3
InChIKeyKRORJPMTDPSMJX-UHFFFAOYSA-N
MW260.48 g/mol
LogP3.23
Rot. Bonds5

About methyl 4-trimethylsilyl-3-trimethylsilyloxybut-2-enoate

methyl 4-trimethylsilyl-3-trimethylsilyloxybut-2-enoate (PubChem CID 86021519) has the molecular formula C11H24O3Si2 and a molecular weight of 260.48 g/mol. Its IUPAC name is methyl 4-trimethylsilyl-3-trimethylsilyloxybut-2-enoate.

Molecular Properties

Compound Namemethyl 4-trimethylsilyl-3-trimethylsilyloxybut-2-enoate
PubChem CID86021519
Molecular FormulaC11H24O3Si2
Molecular Weight260.48 g/mol
Exact Mass260.13
IUPAC Namemethyl 4-trimethylsilyl-3-trimethylsilyloxybut-2-enoate
SMILESCOC(=O)C=C(C[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C11H24O3Si2/c1-13-11(12)8-10(9-15(2,3)4)14-16(5,6)7/h8H,9H2,1-7H3
InChIKeyKRORJPMTDPSMJX-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(Trimethylsilyloxy)-2-butenoic Acid Methyl Ester
CID 2733746
Methyl 3-((trimethylsilyl)oxy)-2-butenoate
CID 5702587
Methyl 3-((trimethylsilyl)oxy)but-2-enoate
CID 6115690
methyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate
CID 102509762
Ethyl (2Z)-3-[(trimethylsilyl)oxy]but-2-enoate
CID 11084906
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
CID 20767020
Ethyl 3-{[diethoxy(methyl)silyl]oxy}but-2-enoate
CID 102398
Acetoacetic acid, di(trimethylsilyl) deriv.
CID 5372911
Ethyl (e)-4-((tert-butyldimethylsilyl)oxy)-3-methylbut-2-enoate
CID 11737024
methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate
CID 10538148
methyl (E)-3-methyl-4-trimethylsilylbut-2-enoate
CID 12728270
ethyl (E)-3-trimethylsilylbut-2-enoate
CID 13087507

Frequently Asked Questions

What is the IUPAC name of methyl 4-trimethylsilyl-3-trimethylsilyloxybut-2-enoate?
The IUPAC name of methyl 4-trimethylsilyl-3-trimethylsilyloxybut-2-enoate (CID 86021519) is methyl 4-trimethylsilyl-3-trimethylsilyloxybut-2-enoate.
What is the SMILES notation for methyl 4-trimethylsilyl-3-trimethylsilyloxybut-2-enoate?
The canonical SMILES for methyl 4-trimethylsilyl-3-trimethylsilyloxybut-2-enoate is COC(=O)C=C(C[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl 4-trimethylsilyl-3-trimethylsilyloxybut-2-enoate?
The InChIKey is KRORJPMTDPSMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si2/c1-13-11(12)8-10(9-15(2,3)4)14-16(5,6)7/h8H,9H2,1-7H3.
What are the key properties of methyl 4-trimethylsilyl-3-trimethylsilyloxybut-2-enoate?
methyl 4-trimethylsilyl-3-trimethylsilyloxybut-2-enoate has a molecular weight of 260.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-trimethylsilyl-3-trimethylsilyloxybut-2-enoate is sourced from PubChem (CID 86021519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).