[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate

C14H28O3Si — CID 25023044

IUPAC[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
SMILESC=C[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C14H28O3Si/c1-9-13(16-12(3)15)10-11(2)17-18(7,8)14(4,5)6/h9,11,13H,1,10H2,2-8H3/t11-,13+/m1/s1
InChIKeyYKMUPNGAHFVPDL-YPMHNXCESA-N
MW272.46 g/mol
LogP3.90
Rot. Bonds6

About [(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate

[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate (PubChem CID 25023044) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is [(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate.

Molecular Properties

Compound Name[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
PubChem CID25023044
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
SMILESC=C[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C14H28O3Si/c1-9-13(16-12(3)15)10-11(2)17-18(7,8)14(4,5)6/h9,11,13H,1,10H2,2-8H3/t11-,13+/m1/s1
InChIKeyYKMUPNGAHFVPDL-YPMHNXCESA-N
XLogP3.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.90
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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Related Compounds

2-Propen-1-ol, 2-(trimethylsilyl)methyl-, acetate
CID 552360
(1r,4s)-4-{[Tert-butyl(dimethyl)silyl]oxy}-2-cyclopenten-1-yl acetate
CID 10956197
[(1Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate
CID 11546028
[(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate
CID 11594572
4-Trimethylsilylhex-5-en-2-yl acetate
CID 12865712
[(E)-4-trimethylsilylbut-3-en-2-yl] acetate
CID 14715792
[(E,2R)-4-trimethylsilylbut-3-en-2-yl] acetate
CID 14715793
[(3S)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
CID 45101605
8-[Tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate
CID 46188086
2-(Trimethylsilylmethyl)penta-1,4-dien-3-yl acetate
CID 60203737
[(E)-1-tri(propan-2-yl)silyloxyhex-4-en-3-yl] acetate
CID 102029881
[(E,3R)-1-tri(propan-2-yl)silyloxyhex-4-en-3-yl] acetate
CID 102296205

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate?
The IUPAC name of [(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate (CID 25023044) is [(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate.
What is the SMILES notation for [(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate?
The canonical SMILES for [(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate is C=C[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)OC(C)=O.
What is the InChIKey of [(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate?
The InChIKey is YKMUPNGAHFVPDL-YPMHNXCESA-N. The full InChI is InChI=1S/C14H28O3Si/c1-9-13(16-12(3)15)10-11(2)17-18(7,8)14(4,5)6/h9,11,13H,1,10H2,2-8H3/t11-,13+/m1/s1.
What are the key properties of [(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate?
[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate has a molecular weight of 272.46 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate is sourced from PubChem (CID 25023044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).