1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-yn-2-one

C16H28O3Si — CID 135009030

IUPAC1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-yn-2-one
SMILESC#CCC(=O)C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O3Si/c1-7-9-13(17)12-15-14(10-8-11-18-15)19-20(5,6)16(2,3)4/h1,14-15H,8-12H2,2-6H3/t14-,15+/m0/s1
InChIKeyYMZPPJBAFNFYBR-LSDHHAIUSA-N
MW296.48 g/mol
LogP3.54
Rot. Bonds5

About 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-yn-2-one

1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-yn-2-one (PubChem CID 135009030) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-yn-2-one.

Molecular Properties

Compound Name1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-yn-2-one
PubChem CID135009030
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-yn-2-one
SMILESC#CCC(=O)C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O3Si/c1-7-9-13(17)12-15-14(10-8-11-18-15)19-20(5,6)16(2,3)4/h1,14-15H,8-12H2,2-6H3/t14-,15+/m0/s1
InChIKeyYMZPPJBAFNFYBR-LSDHHAIUSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-yn-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propan-2-one
CID 11737367
1-(Oxan-2-yl)-12-tri(propan-2-yl)silyldodec-11-yn-2-one
CID 44195295
1-[(2S,6R)-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]propan-2-one
CID 101742802

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-yn-2-one?
The IUPAC name of 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-yn-2-one (CID 135009030) is 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-yn-2-one.
What is the SMILES notation for 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-yn-2-one?
The canonical SMILES for 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-yn-2-one is C#CCC(=O)C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-yn-2-one?
The InChIKey is YMZPPJBAFNFYBR-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-7-9-13(17)12-15-14(10-8-11-18-15)19-20(5,6)16(2,3)4/h1,14-15H,8-12H2,2-6H3/t14-,15+/m0/s1.
What are the key properties of 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-yn-2-one?
1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-yn-2-one has a molecular weight of 296.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-yn-2-one is sourced from PubChem (CID 135009030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).