ethenyl (3,4,4-trimethyl-2-silyloxypentan-2-yl) carbonate

C11H22O4Si — CID 173010653

IUPACethenyl (3,4,4-trimethyl-2-silyloxypentan-2-yl) carbonate
SMILESC=COC(=O)OC(C)(O[SiH3])C(C)C(C)(C)C
InChIInChI=1S/C11H22O4Si/c1-7-13-9(12)14-11(6,15-16)8(2)10(3,4)5/h7-8H,1H2,2-6,16H3
InChIKeyZWIIOTKVWUFRAZ-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.98
Rot. Bonds4

About ethenyl (3,4,4-trimethyl-2-silyloxypentan-2-yl) carbonate

ethenyl (3,4,4-trimethyl-2-silyloxypentan-2-yl) carbonate (PubChem CID 173010653) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is ethenyl (3,4,4-trimethyl-2-silyloxypentan-2-yl) carbonate.

Molecular Properties

Compound Nameethenyl (3,4,4-trimethyl-2-silyloxypentan-2-yl) carbonate
PubChem CID173010653
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Nameethenyl (3,4,4-trimethyl-2-silyloxypentan-2-yl) carbonate
SMILESC=COC(=O)OC(C)(O[SiH3])C(C)C(C)(C)C
InChIInChI=1S/C11H22O4Si/c1-7-13-9(12)14-11(6,15-16)8(2)10(3,4)5/h7-8H,1H2,2-6,16H3
InChIKeyZWIIOTKVWUFRAZ-UHFFFAOYSA-N
XLogP1.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl (3,4,4-trimethyl-2-silyloxypentan-2-yl) carbonate?
The IUPAC name of ethenyl (3,4,4-trimethyl-2-silyloxypentan-2-yl) carbonate (CID 173010653) is ethenyl (3,4,4-trimethyl-2-silyloxypentan-2-yl) carbonate.
What is the SMILES notation for ethenyl (3,4,4-trimethyl-2-silyloxypentan-2-yl) carbonate?
The canonical SMILES for ethenyl (3,4,4-trimethyl-2-silyloxypentan-2-yl) carbonate is C=COC(=O)OC(C)(O[SiH3])C(C)C(C)(C)C.
What is the InChIKey of ethenyl (3,4,4-trimethyl-2-silyloxypentan-2-yl) carbonate?
The InChIKey is ZWIIOTKVWUFRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-7-13-9(12)14-11(6,15-16)8(2)10(3,4)5/h7-8H,1H2,2-6,16H3.
What are the key properties of ethenyl (3,4,4-trimethyl-2-silyloxypentan-2-yl) carbonate?
ethenyl (3,4,4-trimethyl-2-silyloxypentan-2-yl) carbonate has a molecular weight of 246.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl (3,4,4-trimethyl-2-silyloxypentan-2-yl) carbonate is sourced from PubChem (CID 173010653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).