5-[dimethyl(propan-2-yloxy)silyl]undecan-4-one

C16H34O2Si — CID 134889798

IUPAC5-[dimethyl(propan-2-yloxy)silyl]undecan-4-one
SMILESCCCCCCC(C(=O)CCC)[Si](C)(C)OC(C)C
InChIInChI=1S/C16H34O2Si/c1-7-9-10-11-13-16(15(17)12-8-2)19(5,6)18-14(3)4/h14,16H,7-13H2,1-6H3
InChIKeyAWEUGCZENAQTLR-UHFFFAOYSA-N
MW286.53 g/mol
LogP5.33
Rot. Bonds11

About 5-[dimethyl(propan-2-yloxy)silyl]undecan-4-one

5-[dimethyl(propan-2-yloxy)silyl]undecan-4-one (PubChem CID 134889798) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is 5-[dimethyl(propan-2-yloxy)silyl]undecan-4-one.

Molecular Properties

Compound Name5-[dimethyl(propan-2-yloxy)silyl]undecan-4-one
PubChem CID134889798
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name5-[dimethyl(propan-2-yloxy)silyl]undecan-4-one
SMILESCCCCCCC(C(=O)CCC)[Si](C)(C)OC(C)C
InChIInChI=1S/C16H34O2Si/c1-7-9-10-11-13-16(15(17)12-8-2)19(5,6)18-14(3)4/h14,16H,7-13H2,1-6H3
InChIKeyAWEUGCZENAQTLR-UHFFFAOYSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-[dimethyl(propan-2-yloxy)silyl]heptan-4-one
CID 72740800
8-[chloro(dimethyl)silyl]tetradecan-7-one
CID 158320796
propan-2-yl 2-butanoyltetradecanoate
CID 118356607
5-ethylundecan-4-one
CID 11687075
methyl 8-trimethylsilyloxyhexadecanoate
CID 14454572
methyl 4-trimethylsilyloxyhexadecanoate
CID 71410391
methyl 12-trimethylsilyloxyoctadecanoate
CID 604384
nonan-2-yl butanoate
CID 551252
dimethyl-pentadecan-4-yloxy-propan-2-ylsilane
CID 554330
methyl 2-[chloro(dimethyl)silyl]undecanoate
CID 11514827
2-trimethylsilylundecan-3-one
CID 13048489
ethyl 3-butanoylnonanoate
CID 18322309

Frequently Asked Questions

What is the IUPAC name of 5-[dimethyl(propan-2-yloxy)silyl]undecan-4-one?
The IUPAC name of 5-[dimethyl(propan-2-yloxy)silyl]undecan-4-one (CID 134889798) is 5-[dimethyl(propan-2-yloxy)silyl]undecan-4-one.
What is the SMILES notation for 5-[dimethyl(propan-2-yloxy)silyl]undecan-4-one?
The canonical SMILES for 5-[dimethyl(propan-2-yloxy)silyl]undecan-4-one is CCCCCCC(C(=O)CCC)[Si](C)(C)OC(C)C.
What is the InChIKey of 5-[dimethyl(propan-2-yloxy)silyl]undecan-4-one?
The InChIKey is AWEUGCZENAQTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-7-9-10-11-13-16(15(17)12-8-2)19(5,6)18-14(3)4/h14,16H,7-13H2,1-6H3.
What are the key properties of 5-[dimethyl(propan-2-yloxy)silyl]undecan-4-one?
5-[dimethyl(propan-2-yloxy)silyl]undecan-4-one has a molecular weight of 286.53 g/mol, XLogP of 5.33, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dimethyl(propan-2-yloxy)silyl]undecan-4-one is sourced from PubChem (CID 134889798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).