1-(2,2-dimethyl-1,3-dioxolan-4-yl)but-3-en-2-yl-trimethylsilane

C12H24O2Si — CID 11817042

IUPAC1-(2,2-dimethyl-1,3-dioxolan-4-yl)but-3-en-2-yl-trimethylsilane
SMILESC=CC(CC1COC(C)(C)O1)[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-11(15(4,5)6)8-10-9-13-12(2,3)14-10/h7,10-11H,1,8-9H2,2-6H3
InChIKeyCMCVSECZNGDVOF-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.42
Rot. Bonds4

About 1-(2,2-dimethyl-1,3-dioxolan-4-yl)but-3-en-2-yl-trimethylsilane

1-(2,2-dimethyl-1,3-dioxolan-4-yl)but-3-en-2-yl-trimethylsilane (PubChem CID 11817042) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)but-3-en-2-yl-trimethylsilane.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)but-3-en-2-yl-trimethylsilane
PubChem CID11817042
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)but-3-en-2-yl-trimethylsilane
SMILESC=CC(CC1COC(C)(C)O1)[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-11(15(4,5)6)8-10-9-13-12(2,3)14-10/h7,10-11H,1,8-9H2,2-6H3
InChIKeyCMCVSECZNGDVOF-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)but-3-en-2-yl-trimethylsilane?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)but-3-en-2-yl-trimethylsilane (CID 11817042) is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)but-3-en-2-yl-trimethylsilane.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)but-3-en-2-yl-trimethylsilane?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)but-3-en-2-yl-trimethylsilane is C=CC(CC1COC(C)(C)O1)[Si](C)(C)C.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)but-3-en-2-yl-trimethylsilane?
The InChIKey is CMCVSECZNGDVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-7-11(15(4,5)6)8-10-9-13-12(2,3)14-10/h7,10-11H,1,8-9H2,2-6H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)but-3-en-2-yl-trimethylsilane?
1-(2,2-dimethyl-1,3-dioxolan-4-yl)but-3-en-2-yl-trimethylsilane has a molecular weight of 228.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)but-3-en-2-yl-trimethylsilane is sourced from PubChem (CID 11817042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).