tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate

C12H24O3Si — CID 138971087

IUPACtert-butyl (3R)-3-trimethylsilyloxypent-4-enoate
SMILESC=C[C@@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H24O3Si/c1-8-10(15-16(5,6)7)9-11(13)14-12(2,3)4/h8,10H,1,9H2,2-7H3/t10-/m0/s1
InChIKeyLRJFHOUQYAAKFG-JTQLQIEISA-N
MW244.41 g/mol
LogP3.12
Rot. Bonds5

About tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate

tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate (PubChem CID 138971087) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-trimethylsilyloxypent-4-enoate
PubChem CID138971087
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Nametert-butyl (3R)-3-trimethylsilyloxypent-4-enoate
SMILESC=C[C@@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H24O3Si/c1-8-10(15-16(5,6)7)9-11(13)14-12(2,3)4/h8,10H,1,9H2,2-7H3/t10-/m0/s1
InChIKeyLRJFHOUQYAAKFG-JTQLQIEISA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate?
The IUPAC name of tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate (CID 138971087) is tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate.
What is the SMILES notation for tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate?
The canonical SMILES for tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate is C=C[C@@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C.
What is the InChIKey of tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate?
The InChIKey is LRJFHOUQYAAKFG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24O3Si/c1-8-10(15-16(5,6)7)9-11(13)14-12(2,3)4/h8,10H,1,9H2,2-7H3/t10-/m0/s1.
What are the key properties of tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate?
tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate has a molecular weight of 244.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate is sourced from PubChem (CID 138971087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).