trimethylsilyl 2-methylidenebut-3-enoate

C8H14O2Si — CID 19933334

IUPACtrimethylsilyl 2-methylidenebut-3-enoate
SMILESC=CC(=C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C8H14O2Si/c1-6-7(2)8(9)10-11(3,4)5/h6H,1-2H2,3-5H3
InChIKeyZKSMSJFFVAIMMT-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.11
Rot. Bonds3

About trimethylsilyl 2-methylidenebut-3-enoate

trimethylsilyl 2-methylidenebut-3-enoate (PubChem CID 19933334) has the molecular formula C8H14O2Si and a molecular weight of 170.28 g/mol. Its IUPAC name is trimethylsilyl 2-methylidenebut-3-enoate.

Molecular Properties

Compound Nametrimethylsilyl 2-methylidenebut-3-enoate
PubChem CID19933334
Molecular FormulaC8H14O2Si
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Nametrimethylsilyl 2-methylidenebut-3-enoate
SMILESC=CC(=C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C8H14O2Si/c1-6-7(2)8(9)10-11(3,4)5/h6H,1-2H2,3-5H3
InChIKeyZKSMSJFFVAIMMT-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate
CID 87381259
trimethylsilyl 2-oxopropanoate
CID 554459
tris(prop-2-enoic acid);silyloxysilane
CID 175696616
methoxymethane;prop-2-enoic acid
CID 22665045
methanol;prop-2-enoic acid
CID 159043362
trimethylsilyl (2E)-2-propylpenta-2,4-dienoate
CID 5352354
methanethiol;prop-2-enoic acid
CID 158379466
bis(prop-1-ene);prop-2-enoic acid
CID 118194844
bis(trimethylsilyl) (E)-2-methylbut-2-enedioate
CID 12598819
diethoxy(dimethyl)silane;prop-2-enoic acid
CID 87574269
trimethyl-(2-methyl-1-trimethylsilyloxybuta-1,3-dienoxy)silane
CID 12054504
trimethylsilyl (Z)-2-methyl-3-trimethylsilyloxybut-2-enoate
CID 5352679

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-methylidenebut-3-enoate?
The IUPAC name of trimethylsilyl 2-methylidenebut-3-enoate (CID 19933334) is trimethylsilyl 2-methylidenebut-3-enoate.
What is the SMILES notation for trimethylsilyl 2-methylidenebut-3-enoate?
The canonical SMILES for trimethylsilyl 2-methylidenebut-3-enoate is C=CC(=C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-methylidenebut-3-enoate?
The InChIKey is ZKSMSJFFVAIMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2Si/c1-6-7(2)8(9)10-11(3,4)5/h6H,1-2H2,3-5H3.
What are the key properties of trimethylsilyl 2-methylidenebut-3-enoate?
trimethylsilyl 2-methylidenebut-3-enoate has a molecular weight of 170.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-methylidenebut-3-enoate is sourced from PubChem (CID 19933334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).