(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]oxetan-2-one

C14H26O3Si — CID 23726491

IUPAC(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]oxetan-2-one
SMILESC=C(C)[C@@H](C[C@@H]1CC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-10(2)12(8-11-9-13(15)16-11)17-18(6,7)14(3,4)5/h11-12H,1,8-9H2,2-7H3/t11-,12-/m1/s1
InChIKeyYLLNURNBCBZAPR-VXGBXAGGSA-N
MW270.44 g/mol
LogP3.66
Rot. Bonds5

About (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]oxetan-2-one

(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]oxetan-2-one (PubChem CID 23726491) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]oxetan-2-one.

Molecular Properties

Compound Name(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]oxetan-2-one
PubChem CID23726491
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]oxetan-2-one
SMILESC=C(C)[C@@H](C[C@@H]1CC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-10(2)12(8-11-9-13(15)16-11)17-18(6,7)14(3,4)5/h11-12H,1,8-9H2,2-7H3/t11-,12-/m1/s1
InChIKeyYLLNURNBCBZAPR-VXGBXAGGSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl (3R)-3-(tert-butyldimethylsiloxy)-6-methyl-6-heptenoate
CID 134780962
(3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]-3-methyloxetan-2-one
CID 23726490
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-enoate
CID 101618209

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]oxetan-2-one?
The IUPAC name of (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]oxetan-2-one (CID 23726491) is (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]oxetan-2-one.
What is the SMILES notation for (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]oxetan-2-one?
The canonical SMILES for (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]oxetan-2-one is C=C(C)[C@@H](C[C@@H]1CC(=O)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]oxetan-2-one?
The InChIKey is YLLNURNBCBZAPR-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-10(2)12(8-11-9-13(15)16-11)17-18(6,7)14(3,4)5/h11-12H,1,8-9H2,2-7H3/t11-,12-/m1/s1.
What are the key properties of (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]oxetan-2-one?
(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]oxetan-2-one has a molecular weight of 270.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]oxetan-2-one is sourced from PubChem (CID 23726491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).