3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one

C24H50O2Si — CID 46237114

IUPAC3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one
SMILESCCCCCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C24H50O2Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(22(2)25)26-27(6,7)24(3,4)5/h23H,8-21H2,1-7H3
InChIKeyCMNJTVDNZJINCD-UHFFFAOYSA-N
MW398.75 g/mol
LogP8.45
Rot. Bonds17

About 3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one

3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one (PubChem CID 46237114) has the molecular formula C24H50O2Si and a molecular weight of 398.75 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one
PubChem CID46237114
Molecular FormulaC24H50O2Si
Molecular Weight398.75 g/mol
Exact Mass398.36
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one
SMILESCCCCCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C24H50O2Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(22(2)25)26-27(6,7)24(3,4)5/h23H,8-21H2,1-7H3
InChIKeyCMNJTVDNZJINCD-UHFFFAOYSA-N
XLogP8.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.75
LogP ≤ 58.45
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

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one
CID 10633359
tert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane
CID 134846992
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
methyl (2E,4Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-iodotetradeca-2,4-dienoate
CID 135015261
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
CID 58160475
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
3-ethoxyundecan-2-one
CID 10262699
methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526837
methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
CID 526836
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid
CID 25213691

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one (CID 46237114) is 3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one is CCCCCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C(C)=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one?
The InChIKey is CMNJTVDNZJINCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(22(2)25)26-27(6,7)24(3,4)5/h23H,8-21H2,1-7H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one?
3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one has a molecular weight of 398.75 g/mol, XLogP of 8.45, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one is sourced from PubChem (CID 46237114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).