[(Z,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-5-enyl] acetate

C16H32O3Si — CID 11150758

IUPAC[(Z,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-5-enyl] acetate
SMILESCC(=O)OCCCC/C=C\[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-14(19-20(6,7)16(3,4)5)12-10-8-9-11-13-18-15(2)17/h10,12,14H,8-9,11,13H2,1-7H3/b12-10-/t14-/m1/s1
InChIKeyQTRZWKVNUJIZEU-GAJOTYCWSA-N
MW300.52 g/mol
LogP4.69
Rot. Bonds8

About [(Z,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-5-enyl] acetate

[(Z,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-5-enyl] acetate (PubChem CID 11150758) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is [(Z,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-5-enyl] acetate.

Molecular Properties

Compound Name[(Z,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-5-enyl] acetate
PubChem CID11150758
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name[(Z,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-5-enyl] acetate
SMILESCC(=O)OCCCC/C=C\[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-14(19-20(6,7)16(3,4)5)12-10-8-9-11-13-18-15(2)17/h10,12,14H,8-9,11,13H2,1-7H3/b12-10-/t14-/m1/s1
InChIKeyQTRZWKVNUJIZEU-GAJOTYCWSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 13821292
[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
CID 134946270
[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
CID 134971110
ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate
CID 154722300
(1r,4s)-4-{[Tert-butyl(dimethyl)silyl]oxy}-2-cyclopenten-1-yl acetate
CID 10956197
(1S,4R)-1-Acetoxy-4-(tert-butyldimethylsilanyloxy)-2-cyclohexene
CID 10978542
[(E)-7-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-enyl] acetate
CID 58918255
[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate
CID 10859995
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-propylhex-3-enoate
CID 15921986
[(2E,4R)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate
CID 15942569
[(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate
CID 15942571
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 23642892

Frequently Asked Questions

What is the IUPAC name of [(Z,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-5-enyl] acetate?
The IUPAC name of [(Z,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-5-enyl] acetate (CID 11150758) is [(Z,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-5-enyl] acetate.
What is the SMILES notation for [(Z,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-5-enyl] acetate?
The canonical SMILES for [(Z,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-5-enyl] acetate is CC(=O)OCCCC/C=C\[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(Z,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-5-enyl] acetate?
The InChIKey is QTRZWKVNUJIZEU-GAJOTYCWSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-14(19-20(6,7)16(3,4)5)12-10-8-9-11-13-18-15(2)17/h10,12,14H,8-9,11,13H2,1-7H3/b12-10-/t14-/m1/s1.
What are the key properties of [(Z,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-5-enyl] acetate?
[(Z,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-5-enyl] acetate has a molecular weight of 300.52 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-5-enyl] acetate is sourced from PubChem (CID 11150758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).