(E)-2,6,10-trimethyl-10-triethylsilyloxydodec-6-en-11-yn-3-one

C21H38O2Si — CID 135074989

IUPAC(E)-2,6,10-trimethyl-10-triethylsilyloxydodec-6-en-11-yn-3-one
SMILESC#CC(C)(CC/C=C(\C)CCC(=O)C(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C21H38O2Si/c1-9-21(8,23-24(10-2,11-3)12-4)17-13-14-19(7)15-16-20(22)18(5)6/h1,14,18H,10-13,15-17H2,2-8H3/b19-14+
InChIKeyXJIUOORJEMXHCV-XMHGGMMESA-N
MW350.62 g/mol
LogP6.13
Rot. Bonds12

About (E)-2,6,10-trimethyl-10-triethylsilyloxydodec-6-en-11-yn-3-one

(E)-2,6,10-trimethyl-10-triethylsilyloxydodec-6-en-11-yn-3-one (PubChem CID 135074989) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is (E)-2,6,10-trimethyl-10-triethylsilyloxydodec-6-en-11-yn-3-one.

Molecular Properties

Compound Name(E)-2,6,10-trimethyl-10-triethylsilyloxydodec-6-en-11-yn-3-one
PubChem CID135074989
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Name(E)-2,6,10-trimethyl-10-triethylsilyloxydodec-6-en-11-yn-3-one
SMILESC#CC(C)(CC/C=C(\C)CCC(=O)C(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C21H38O2Si/c1-9-21(8,23-24(10-2,11-3)12-4)17-13-14-19(7)15-16-20(22)18(5)6/h1,14,18H,10-13,15-17H2,2-8H3/b19-14+
InChIKeyXJIUOORJEMXHCV-XMHGGMMESA-N
XLogP6.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxysilane
CID 101181765
8-hydroxy-2,6-dimethyloct-6-en-3-one
CID 54166148
ethyl (6E,10E)-12-bromo-2,6,10-trimethyl-3-oxododeca-6,10-dienoate
CID 23584812
ethyl (6E,10E)-2-chloro-6,10-dimethyl-3-oxopentadeca-6,10-dien-14-ynoate
CID 122380460
3,7,11,15-tetramethylhexadeca-10,14-dien-1-yn-3-ol
CID 162691534
(6E)-3,7,11-trimethyl(1,2-13C2)dodeca-6,10-dien-1-yn-3-ol
CID 165353227
(2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
CID 15825764
3,7-dimethylnon-1-yn-3-yl acetate
CID 131744189
(2Z,6E,10R)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
CID 156580639
ethyl (E)-10-(methoxymethoxy)-6,10-dimethyl-3-prop-1-en-2-yl-13-tri(propan-2-yl)silyloxytridec-6-en-11-ynoate
CID 10347126
(E)-2,6,10-trimethylpentadec-9-en-6-ol
CID 129151559
[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-methylpropanoate
CID 5363453

Frequently Asked Questions

What is the IUPAC name of (E)-2,6,10-trimethyl-10-triethylsilyloxydodec-6-en-11-yn-3-one?
The IUPAC name of (E)-2,6,10-trimethyl-10-triethylsilyloxydodec-6-en-11-yn-3-one (CID 135074989) is (E)-2,6,10-trimethyl-10-triethylsilyloxydodec-6-en-11-yn-3-one.
What is the SMILES notation for (E)-2,6,10-trimethyl-10-triethylsilyloxydodec-6-en-11-yn-3-one?
The canonical SMILES for (E)-2,6,10-trimethyl-10-triethylsilyloxydodec-6-en-11-yn-3-one is C#CC(C)(CC/C=C(\C)CCC(=O)C(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of (E)-2,6,10-trimethyl-10-triethylsilyloxydodec-6-en-11-yn-3-one?
The InChIKey is XJIUOORJEMXHCV-XMHGGMMESA-N. The full InChI is InChI=1S/C21H38O2Si/c1-9-21(8,23-24(10-2,11-3)12-4)17-13-14-19(7)15-16-20(22)18(5)6/h1,14,18H,10-13,15-17H2,2-8H3/b19-14+.
What are the key properties of (E)-2,6,10-trimethyl-10-triethylsilyloxydodec-6-en-11-yn-3-one?
(E)-2,6,10-trimethyl-10-triethylsilyloxydodec-6-en-11-yn-3-one has a molecular weight of 350.62 g/mol, XLogP of 6.13, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6,10-trimethyl-10-triethylsilyloxydodec-6-en-11-yn-3-one is sourced from PubChem (CID 135074989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).