(10S)-11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundecane-2,3-dione

C19H38O3Si — CID 91029323

IUPAC(10S)-11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundecane-2,3-dione
SMILESCC(=O)C(=O)CCC(C)CCC[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-15(12-13-18(21)17(3)20)10-9-11-16(2)14-22-23(7,8)19(4,5)6/h15-16H,9-14H2,1-8H3/t15?,16-/m0/s1
InChIKeyNCAXKNVVZIAYFX-LYKKTTPLSA-N
MW342.60 g/mol
LogP5.39
Rot. Bonds11

About (10S)-11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundecane-2,3-dione

(10S)-11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundecane-2,3-dione (PubChem CID 91029323) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is (10S)-11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundecane-2,3-dione.

Molecular Properties

Compound Name(10S)-11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundecane-2,3-dione
PubChem CID91029323
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name(10S)-11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundecane-2,3-dione
SMILESCC(=O)C(=O)CCC(C)CCC[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-15(12-13-18(21)17(3)20)10-9-11-16(2)14-22-23(7,8)19(4,5)6/h15-16H,9-14H2,1-8H3/t15?,16-/m0/s1
InChIKeyNCAXKNVVZIAYFX-LYKKTTPLSA-N
XLogP5.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (10S)-11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundecane-2,3-dione with MolForge

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Related Compounds

3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10085307
1,2-Dicyclohexyl-2-trimethylsilyloxyethanone
CID 10590062
(1S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 13228831
(-)-(R)-3-(4-((tert-Butyldimethylsilyl)oxy)butyl))-4,4-dimethylcyclohexanone
CID 57336727
(1R)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 71421165
(+)-(R)-3-(4-((tert-Butyldimethylsilyl)oxy)butyl)-3-methylcyclohexanone
CID 131746606
2-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one
CID 11312577
(4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 11716179
trans-(2S,5R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 11832982
7-{[tert-Butyl(dimethyl)silyl]oxy}-2,2,5-trimethylheptanal
CID 15654024
(4S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptan-2-one
CID 24886405
trans-(2R,5S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 45378851

Frequently Asked Questions

What is the IUPAC name of (10S)-11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundecane-2,3-dione?
The IUPAC name of (10S)-11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundecane-2,3-dione (CID 91029323) is (10S)-11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundecane-2,3-dione.
What is the SMILES notation for (10S)-11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundecane-2,3-dione?
The canonical SMILES for (10S)-11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundecane-2,3-dione is CC(=O)C(=O)CCC(C)CCC[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (10S)-11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundecane-2,3-dione?
The InChIKey is NCAXKNVVZIAYFX-LYKKTTPLSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-15(12-13-18(21)17(3)20)10-9-11-16(2)14-22-23(7,8)19(4,5)6/h15-16H,9-14H2,1-8H3/t15?,16-/m0/s1.
What are the key properties of (10S)-11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundecane-2,3-dione?
(10S)-11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundecane-2,3-dione has a molecular weight of 342.60 g/mol, XLogP of 5.39, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-11-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethylundecane-2,3-dione is sourced from PubChem (CID 91029323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).