1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl butanoate

C16H32O3Si — CID 46201682

IUPAC1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl butanoate
SMILESC=CCC(CCO[Si](C)(C)C(C)(C)C)OC(=O)CCC
InChIInChI=1S/C16H32O3Si/c1-8-10-14(19-15(17)11-9-2)12-13-18-20(6,7)16(3,4)5/h8,14H,1,9-13H2,2-7H3
InChIKeyZQZVRHLGECDZDF-UHFFFAOYSA-N
MW300.52 g/mol
LogP4.69
Rot. Bonds9

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

1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl butanoate (PubChem CID 46201682) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl butanoate.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl butanoate
PubChem CID46201682
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl butanoate
SMILESC=CCC(CCO[Si](C)(C)C(C)(C)C)OC(=O)CCC
InChIInChI=1S/C16H32O3Si/c1-8-10-14(19-15(17)11-9-2)12-13-18-20(6,7)16(3,4)5/h8,14H,1,9-13H2,2-7H3
InChIKeyZQZVRHLGECDZDF-UHFFFAOYSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.69
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
(R)-Methyl 3-((tert-butyldimethylsilyl)oxy)hex-5-enoate
CID 14926558
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 10901749
(4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one
CID 11623556
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate
CID 53304622
[(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate
CID 53343505
[(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl] acetate
CID 134887120
ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate
CID 134980795
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate
CID 154709335
[(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate
CID 56925503
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate
CID 56964829

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl butanoate?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl butanoate (CID 46201682) is 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl butanoate.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl butanoate?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl butanoate is C=CCC(CCO[Si](C)(C)C(C)(C)C)OC(=O)CCC.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl butanoate?
The InChIKey is ZQZVRHLGECDZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-8-10-14(19-15(17)11-9-2)12-13-18-20(6,7)16(3,4)5/h8,14H,1,9-13H2,2-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl butanoate?
1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl butanoate has a molecular weight of 300.52 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl butanoate is sourced from PubChem (CID 46201682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).