tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynoate

C15H28O3Si — CID 135036966

IUPACtert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynoate
SMILESCC(C)(C)OC(=O)C[C@@H](O)C#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-14(2,3)18-13(17)11-12(16)9-10-19(7,8)15(4,5)6/h12,16H,11H2,1-8H3/t12-/m0/s1
InChIKeyJEWFVMAVKRYOBP-LBPRGKRZSA-N
MW284.47 g/mol
LogP3.13
Rot. Bonds2

About tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynoate

tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynoate (PubChem CID 135036966) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynoate.

Molecular Properties

Compound Nametert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynoate
PubChem CID135036966
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Nametert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynoate
SMILESCC(C)(C)OC(=O)C[C@@H](O)C#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-14(2,3)18-13(17)11-12(16)9-10-19(7,8)15(4,5)6/h12,16H,11H2,1-8H3/t12-/m0/s1
InChIKeyJEWFVMAVKRYOBP-LBPRGKRZSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynoate?
The IUPAC name of tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynoate (CID 135036966) is tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynoate.
What is the SMILES notation for tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynoate?
The canonical SMILES for tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynoate is CC(C)(C)OC(=O)C[C@@H](O)C#C[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynoate?
The InChIKey is JEWFVMAVKRYOBP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-14(2,3)18-13(17)11-12(16)9-10-19(7,8)15(4,5)6/h12,16H,11H2,1-8H3/t12-/m0/s1.
What are the key properties of tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynoate?
tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynoate has a molecular weight of 284.47 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynoate is sourced from PubChem (CID 135036966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).