9-[tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate

C17H32O3Si — CID 135015661

IUPAC9-[tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate
SMILESCC(=O)OCC=C=CCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-16(18)19-14-12-10-8-7-9-11-13-15-20-21(5,6)17(2,3)4/h8,12H,7,9,11,13-15H2,1-6H3
InChIKeyYTLBIPLVWNEDSR-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.84
Rot. Bonds9

About 9-[tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate

9-[tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate (PubChem CID 135015661) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is 9-[tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate.

Molecular Properties

Compound Name9-[tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate
PubChem CID135015661
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name9-[tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate
SMILESCC(=O)OCC=C=CCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-16(18)19-14-12-10-8-7-9-11-13-15-20-21(5,6)17(2,3)4/h8,12H,7,9,11,13-15H2,1-6H3
InChIKeyYTLBIPLVWNEDSR-UHFFFAOYSA-N
XLogP4.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.84
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'}

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Related Compounds

Prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate
CID 44817642
8-[Tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate
CID 46188086
ethyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-enoate
CID 135012258
[(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
[(E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-enyl] acetate
CID 89796975
[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enyl] acetate
CID 173707950
8-[Tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl acetate
CID 11001086
[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-4-yl] acetate
CID 16085095
[(3S)-6-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-3-yl] acetate
CID 25214793
[(3S)-14-[tert-butyl(dimethyl)silyl]oxytetradec-1-en-3-yl] acetate
CID 102173041
[(3R)-11-[tert-butyl(dimethyl)silyl]oxyundec-1-en-3-yl] acetate
CID 102474247

Frequently Asked Questions

What is the IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate?
The IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate (CID 135015661) is 9-[tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate.
What is the SMILES notation for 9-[tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate?
The canonical SMILES for 9-[tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate is CC(=O)OCC=C=CCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 9-[tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate?
The InChIKey is YTLBIPLVWNEDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-16(18)19-14-12-10-8-7-9-11-13-15-20-21(5,6)17(2,3)4/h8,12H,7,9,11,13-15H2,1-6H3.
What are the key properties of 9-[tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate?
9-[tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate has a molecular weight of 312.53 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate is sourced from PubChem (CID 135015661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).