[(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate

C17H34O3Si — CID 53343505

IUPAC[(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate
SMILESC=CC[C@@H](CCO[Si](C(C)C)(C(C)C)C(C)C)OC(C)=O
InChIInChI=1S/C17H34O3Si/c1-9-10-17(20-16(8)18)11-12-19-21(13(2)3,14(4)5)15(6)7/h9,13-15,17H,1,10-12H2,2-8H3/t17-/m0/s1
InChIKeyHIJFNCNKUXSSJB-KRWDZBQOSA-N
MW314.54 g/mol
LogP5.08
Rot. Bonds10

About [(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate

[(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate (PubChem CID 53343505) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is [(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate.

Molecular Properties

Compound Name[(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate
PubChem CID53343505
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name[(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate
SMILESC=CC[C@@H](CCO[Si](C(C)C)(C(C)C)C(C)C)OC(C)=O
InChIInChI=1S/C17H34O3Si/c1-9-10-17(20-16(8)18)11-12-19-21(13(2)3,14(4)5)15(6)7/h9,13-15,17H,1,10-12H2,2-8H3/t17-/m0/s1
InChIKeyHIJFNCNKUXSSJB-KRWDZBQOSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.08
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

Ethyl 3(R)-(tert-butyldimethylsilyloxy)-5-hexenoate
CID 11065603
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 10901749
[(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate
CID 11594572
3-Ethenoxyhex-5-enoxy-tri(propan-2-yl)silane
CID 11623558
4-Trimethylsilylhex-5-en-2-yl acetate
CID 12865712
[(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl] acetate
CID 134887120
[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl] prop-2-enoate
CID 145945198
Ethyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 85308645
[(3S)-1-butoxyhex-5-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 89568387
[(1S)-3-tri(propan-2-yl)silyloxycyclopent-3-en-1-yl] acetate
CID 9971929
[(Z,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-5-enyl] acetate
CID 11150758
[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodohex-5-enyl] 2,2-dimethylpropanoate
CID 11224448

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate?
The IUPAC name of [(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate (CID 53343505) is [(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate.
What is the SMILES notation for [(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate?
The canonical SMILES for [(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate is C=CC[C@@H](CCO[Si](C(C)C)(C(C)C)C(C)C)OC(C)=O.
What is the InChIKey of [(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate?
The InChIKey is HIJFNCNKUXSSJB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-9-10-17(20-16(8)18)11-12-19-21(13(2)3,14(4)5)15(6)7/h9,13-15,17H,1,10-12H2,2-8H3/t17-/m0/s1.
What are the key properties of [(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate?
[(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate has a molecular weight of 314.54 g/mol, XLogP of 5.08, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate is sourced from PubChem (CID 53343505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).