[(3S)-6-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-3-yl] acetate

C16H30O3Si — CID 25214793

IUPAC[(3S)-6-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-3-yl] acetate
SMILESC=CC(CC[C@@H](C=C)OC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-9-14(18-13(3)17)11-12-15(10-2)19-20(7,8)16(4,5)6/h9-10,14-15H,1-2,11-12H2,3-8H3/t14-,15?/m1/s1
InChIKeyZTRYCZIQDAFVTG-GICMACPYSA-N
MW298.50 g/mol
LogP4.46
Rot. Bonds8

About [(3S)-6-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-3-yl] acetate

[(3S)-6-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-3-yl] acetate (PubChem CID 25214793) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is [(3S)-6-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-3-yl] acetate.

Molecular Properties

Compound Name[(3S)-6-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-3-yl] acetate
PubChem CID25214793
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name[(3S)-6-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-3-yl] acetate
SMILESC=CC(CC[C@@H](C=C)OC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-9-14(18-13(3)17)11-12-15(10-2)19-20(7,8)16(4,5)6/h9-10,14-15H,1-2,11-12H2,3-8H3/t14-,15?/m1/s1
InChIKeyZTRYCZIQDAFVTG-GICMACPYSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.46
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

(1S,4R)-1-Acetoxy-4-(tert-butyldimethylsilanyloxy)-2-cyclohexene
CID 10978542
[(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate
CID 11594572
Prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate
CID 44817642
[(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
[(E)-1-triethylsilyldec-1-en-3-yl] acetate
CID 101544369
9-[Tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate
CID 135015661
[(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate
CID 135079804
[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-yl] prop-2-enoate
CID 138976584
[(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 139261291
[(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-3-en-2-yl] acetate
CID 139263528
(2R)-5-((tert-butyldimethylsilyl)oxy)hept-6-en-2-yl 2-bromoacetate
CID 145865190

Frequently Asked Questions

What is the IUPAC name of [(3S)-6-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-3-yl] acetate?
The IUPAC name of [(3S)-6-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-3-yl] acetate (CID 25214793) is [(3S)-6-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-3-yl] acetate.
What is the SMILES notation for [(3S)-6-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-3-yl] acetate?
The canonical SMILES for [(3S)-6-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-3-yl] acetate is C=CC(CC[C@@H](C=C)OC(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3S)-6-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-3-yl] acetate?
The InChIKey is ZTRYCZIQDAFVTG-GICMACPYSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-9-14(18-13(3)17)11-12-15(10-2)19-20(7,8)16(4,5)6/h9-10,14-15H,1-2,11-12H2,3-8H3/t14-,15?/m1/s1.
What are the key properties of [(3S)-6-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-3-yl] acetate?
[(3S)-6-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-3-yl] acetate has a molecular weight of 298.50 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-6-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-3-yl] acetate is sourced from PubChem (CID 25214793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).