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

C19H30O3Si — CID 168819463

IUPAC1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl benzoate
SMILESC=CCC(CCO[Si](C)(C)C(C)(C)C)OC(=O)c1ccccc1
InChIInChI=1S/C19H30O3Si/c1-7-11-17(14-15-21-23(5,6)19(2,3)4)22-18(20)16-12-9-8-10-13-16/h7-10,12-13,17H,1,11,14-15H2,2-6H3
InChIKeyFGGUBZSGMKGUIC-UHFFFAOYSA-N
MW334.53 g/mol
LogP5.20
Rot. Bonds8

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

1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl benzoate (PubChem CID 168819463) has the molecular formula C19H30O3Si and a molecular weight of 334.53 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl benzoate.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl benzoate
PubChem CID168819463
Molecular FormulaC19H30O3Si
Molecular Weight334.53 g/mol
Exact Mass334.20
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl benzoate
SMILESC=CCC(CCO[Si](C)(C)C(C)(C)C)OC(=O)c1ccccc1
InChIInChI=1S/C19H30O3Si/c1-7-11-17(14-15-21-23(5,6)19(2,3)4)22-18(20)16-12-9-8-10-13-16/h7-10,12-13,17H,1,11,14-15H2,2-6H3
InChIKeyFGGUBZSGMKGUIC-UHFFFAOYSA-N
XLogP5.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.53
LogP ≤ 55.20
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

(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one
CID 132520727
[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]butan-2-yl] benzoate
CID 156755731
[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl] benzoate
CID 100980037
[1-(tert-butylamino)-1-oxopent-4-en-2-yl] benzoate
CID 12066047
[(2S)-1-phenylpent-4-en-2-yl] (Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylpent-3-enoate
CID 101366608
[5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate
CID 175572844
[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate
CID 163284398
[(2S,3S)-3-hydroxyhex-5-en-2-yl] benzoate
CID 134930488
[(Z)-4-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-enyl] benzoate
CID 122384126
[(3R,5S,7R,9R)-5,7,9-tris[[tert-butyl(dimethyl)silyl]oxy]hexadec-1-en-3-yl] benzoate
CID 44604460
[(7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylnona-2,7-dien-5-yn-4-yl] benzoate
CID 46854924
[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutyl] benzoate
CID 11438668

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl benzoate?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl benzoate (CID 168819463) is 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl benzoate.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl benzoate?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl benzoate is C=CCC(CCO[Si](C)(C)C(C)(C)C)OC(=O)c1ccccc1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl benzoate?
The InChIKey is FGGUBZSGMKGUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3Si/c1-7-11-17(14-15-21-23(5,6)19(2,3)4)22-18(20)16-12-9-8-10-13-16/h7-10,12-13,17H,1,11,14-15H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl benzoate?
1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl benzoate has a molecular weight of 334.53 g/mol, XLogP of 5.20, 8 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 benzoate is sourced from PubChem (CID 168819463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).