10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one

C17H34O2Si — CID 11324012

IUPAC10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one
SMILESC=CCCCC(=O)CCCC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-8-9-10-13-16(18)14-11-12-15(2)19-20(6,7)17(3,4)5/h8,15H,1,9-14H2,2-7H3
InChIKeyPJGPLCXPEFXFCG-UHFFFAOYSA-N
MW298.54 g/mol
LogP5.49
Rot. Bonds10

About 10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one

10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one (PubChem CID 11324012) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is 10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one.

Molecular Properties

Compound Name10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one
PubChem CID11324012
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one
SMILESC=CCCCC(=O)CCCC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-8-9-10-13-16(18)14-11-12-15(2)19-20(6,7)17(3,4)5/h8,15H,1,9-14H2,2-7H3
InChIKeyPJGPLCXPEFXFCG-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.49
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one
CID 11044811
(2S,6S)-2,6-dimethyl-1-tri(propan-2-yl)silyloxydec-9-en-5-one
CID 12164695
9-Tri(propan-2-yl)silyloxynon-1-en-5-one
CID 91062407
(5R)-5-[tert-butyl(dimethyl)silyl]oxydec-9-en-3-one
CID 134966731
(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-one
CID 135039795
5-Ethenyl-2-methyl-8-tri(propan-2-yl)silyloxyoctan-4-one
CID 155933850
(12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one
CID 89431987
1-[Tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one
CID 91518681
(19Z,22R)-22-{[tert-butyl(dimethyl)silyl]oxy}octacos-19-en-11-one
CID 131749544
(E)-7-[diethyl(prop-1-en-2-yl)silyl]oxy-10-hydroxydec-9-en-2-one
CID 140328619
(Z,24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one
CID 140736947
(7R,9Z,26Z,29R)-7,29-bis[[tert-butyl(dimethyl)silyl]oxy]pentatriaconta-9,26-dien-18-one
CID 140736953

Frequently Asked Questions

What is the IUPAC name of 10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one?
The IUPAC name of 10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one (CID 11324012) is 10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one.
What is the SMILES notation for 10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one?
The canonical SMILES for 10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one is C=CCCCC(=O)CCCC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one?
The InChIKey is PJGPLCXPEFXFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-8-9-10-13-16(18)14-11-12-15(2)19-20(6,7)17(3,4)5/h8,15H,1,9-14H2,2-7H3.
What are the key properties of 10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one?
10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one has a molecular weight of 298.54 g/mol, XLogP of 5.49, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one is sourced from PubChem (CID 11324012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).