1-[tert-butyl(dimethyl)silyl]oxynonan-5-yl acetate

C17H36O3Si — CID 134880795

IUPAC1-[tert-butyl(dimethyl)silyl]oxynonan-5-yl acetate
SMILESCCCCC(CCCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C17H36O3Si/c1-8-9-12-16(20-15(2)18)13-10-11-14-19-21(6,7)17(3,4)5/h16H,8-14H2,1-7H3
InChIKeyAIZUPZCKSMDHBZ-UHFFFAOYSA-N
MW316.56 g/mol
LogP5.30
Rot. Bonds10

About 1-[tert-butyl(dimethyl)silyl]oxynonan-5-yl acetate

1-[tert-butyl(dimethyl)silyl]oxynonan-5-yl acetate (PubChem CID 134880795) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxynonan-5-yl acetate.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxynonan-5-yl acetate
PubChem CID134880795
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxynonan-5-yl acetate
SMILESCCCCC(CCCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C17H36O3Si/c1-8-9-12-16(20-15(2)18)13-10-11-14-19-21(6,7)17(3,4)5/h16H,8-14H2,1-7H3
InChIKeyAIZUPZCKSMDHBZ-UHFFFAOYSA-N
XLogP5.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.56
LogP ≤ 55.30
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

methyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate
CID 57327614
10-[Tert-butyl(dimethyl)silyl]oxydecan-2-yl acetate
CID 134979976
ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxydodec-2-ynoate
CID 135015259
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate
CID 166449043
1-Oxacyclotetradec-5-yn-2-one, 8-(t-butyldimethylsilyloxy)-14-[4-(t-butyldimethylsilyloxy)butyl]-
CID 554475
[(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate
CID 10669508
8-[Tert-butyl(dimethyl)silyl]oxyoctyl acetate
CID 11771105
7-(Triethylsilyloxy)cyclododecyl acetate
CID 67068094
12-(Tert-butyldimethylsiloxy)-1-(trimethylsilyl)dodec-1-yn-5-yl acetate
CID 86668323
13-(Tert-butyldimethylsilyloxy)-1-(trimethylsilyl)tridec-1-yn-7-yl acetate
CID 86668330
13-(tert-Butyldimethylsilyloxy)-1-(trimethylsilyl)tridec-1-yn-5-yl acetate
CID 86668334
11-(Tert-butyldimethylsilyloxy)-1-(trimethylsilyl)undec-1-yn-3-yl acetate
CID 86668338

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxynonan-5-yl acetate?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxynonan-5-yl acetate (CID 134880795) is 1-[tert-butyl(dimethyl)silyl]oxynonan-5-yl acetate.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxynonan-5-yl acetate?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxynonan-5-yl acetate is CCCCC(CCCCO[Si](C)(C)C(C)(C)C)OC(C)=O.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxynonan-5-yl acetate?
The InChIKey is AIZUPZCKSMDHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-8-9-12-16(20-15(2)18)13-10-11-14-19-21(6,7)17(3,4)5/h16H,8-14H2,1-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxynonan-5-yl acetate?
1-[tert-butyl(dimethyl)silyl]oxynonan-5-yl acetate has a molecular weight of 316.56 g/mol, XLogP of 5.30, 10 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]oxynonan-5-yl acetate is sourced from PubChem (CID 134880795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).