methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate

C11H20O3Si — CID 174530611

IUPACmethyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate
SMILESCOC(=O)C(=C(C)C)C1([SiH3])CCCCO1
InChIInChI=1S/C11H20O3Si/c1-8(2)9(10(12)13-3)11(15)6-4-5-7-14-11/h4-7H2,1-3,15H3
InChIKeyNDIWYXKVCCFXES-UHFFFAOYSA-N
MW228.36 g/mol
LogP0.76
Rot. Bonds2

About methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate

methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate (PubChem CID 174530611) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate
PubChem CID174530611
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Namemethyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate
SMILESCOC(=O)C(=C(C)C)C1([SiH3])CCCCO1
InChIInChI=1S/C11H20O3Si/c1-8(2)9(10(12)13-3)11(15)6-4-5-7-14-11/h4-7H2,1-3,15H3
InChIKeyNDIWYXKVCCFXES-UHFFFAOYSA-N
XLogP0.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one
CID 174738862
[2-(1,2-dimethoxy-3-methylbut-1-enyl)oxan-2-yl]silane
CID 123986696
2-hydroxyethyl 2-(2-silyloxan-2-yl)prop-2-enoate
CID 175186158
methyl 5-methyl-2-(2-silyloxan-2-yl)hexanoate
CID 175063682
1-(2-silyloxan-2-yl)propa-1,2-diene-1-thiol
CID 176537455
methyl 1-(3-methoxy-3-oxoprop-1-en-2-yl)cyclohexane-1-carboxylate
CID 105483862
methyl 2-(2-methoxyoxan-2-yl)acetate
CID 10965266
N-methyl-2-(2-silyloxan-2-yl)acetamide
CID 173394846
methyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate
CID 100934695
ethyl N-[(2-silyloxan-2-yl)methyl]carbamate
CID 175525267
methyl 2-[2-[bis(trimethylsilyloxy)methylsilyl]oxan-2-yl]silylprop-2-enoate
CID 173377562
1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one
CID 175244889

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate?
The IUPAC name of methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate (CID 174530611) is methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate.
What is the SMILES notation for methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate?
The canonical SMILES for methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate is COC(=O)C(=C(C)C)C1([SiH3])CCCCO1.
What is the InChIKey of methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate?
The InChIKey is NDIWYXKVCCFXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-8(2)9(10(12)13-3)11(15)6-4-5-7-14-11/h4-7H2,1-3,15H3.
What are the key properties of methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate?
methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate has a molecular weight of 228.36 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate is sourced from PubChem (CID 174530611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).