tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

C15H30O3Si — CID 11150361

IUPACtert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESC=C[C@@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-10-12(11-13(16)17-14(2,3)4)18-19(8,9)15(5,6)7/h10,12H,1,11H2,2-9H3/t12-/m0/s1
InChIKeyGUHUYWYVRXXWBF-LBPRGKRZSA-N
MW286.49 g/mol
LogP4.29
Rot. Bonds5

About tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (PubChem CID 11150361) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
PubChem CID11150361
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Nametert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESC=C[C@@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-10-12(11-13(16)17-14(2,3)4)18-19(8,9)15(5,6)7/h10,12H,1,11H2,2-9H3/t12-/m0/s1
InChIKeyGUHUYWYVRXXWBF-LBPRGKRZSA-N
XLogP4.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.29
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-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The IUPAC name of tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (CID 11150361) is tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.
What is the SMILES notation for tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The canonical SMILES for tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is C=C[C@@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The InChIKey is GUHUYWYVRXXWBF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-10-12(11-13(16)17-14(2,3)4)18-19(8,9)15(5,6)7/h10,12H,1,11H2,2-9H3/t12-/m0/s1.
What are the key properties of tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate has a molecular weight of 286.49 g/mol, XLogP of 4.29, 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-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is sourced from PubChem (CID 11150361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).