1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl methyl carbonate

C12H24O4Si — CID 11459639

IUPAC1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl methyl carbonate
SMILESC=CC(CO[Si](C)(C)C(C)(C)C)OC(=O)OC
InChIInChI=1S/C12H24O4Si/c1-8-10(16-11(13)14-5)9-15-17(6,7)12(2,3)4/h8,10H,1,9H2,2-7H3
InChIKeyNIMCROWFHUZCQI-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.35
Rot. Bonds5

About 1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl methyl carbonate

1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl methyl carbonate (PubChem CID 11459639) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl methyl carbonate.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl methyl carbonate
PubChem CID11459639
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl methyl carbonate
SMILESC=CC(CO[Si](C)(C)C(C)(C)C)OC(=O)OC
InChIInChI=1S/C12H24O4Si/c1-8-10(16-11(13)14-5)9-15-17(6,7)12(2,3)4/h8,10H,1,9H2,2-7H3
InChIKeyNIMCROWFHUZCQI-UHFFFAOYSA-N
XLogP3.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl methyl carbonate?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl methyl carbonate (CID 11459639) is 1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl methyl carbonate.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl methyl carbonate?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl methyl carbonate is C=CC(CO[Si](C)(C)C(C)(C)C)OC(=O)OC.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl methyl carbonate?
The InChIKey is NIMCROWFHUZCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-8-10(16-11(13)14-5)9-15-17(6,7)12(2,3)4/h8,10H,1,9H2,2-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl methyl carbonate?
1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl methyl carbonate has a molecular weight of 260.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl methyl carbonate is sourced from PubChem (CID 11459639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).