tert-butyl-[(3S,4R,5S,6S)-3,5-dimethyl-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane

C21H46O2Si2 — CID 72701903

IUPACtert-butyl-[(3S,4R,5S,6S)-3,5-dimethyl-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane
SMILESC=C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C)O[Si](CC)(CC)CC
InChIInChI=1S/C21H46O2Si2/c1-13-17(5)20(23-24(11,12)21(8,9)10)18(6)19(7)22-25(14-2,15-3)16-4/h13,17-20H,1,14-16H2,2-12H3/t17-,18-,19-,20+/m0/s1
InChIKeyZTDLQHIBRWVWKT-LWYYNNOASA-N
MW386.77 g/mol
LogP7.25
Rot. Bonds11

About tert-butyl-[(3S,4R,5S,6S)-3,5-dimethyl-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane

tert-butyl-[(3S,4R,5S,6S)-3,5-dimethyl-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane (PubChem CID 72701903) has the molecular formula C21H46O2Si2 and a molecular weight of 386.77 g/mol. Its IUPAC name is tert-butyl-[(3S,4R,5S,6S)-3,5-dimethyl-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4R,5S,6S)-3,5-dimethyl-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane
PubChem CID72701903
Molecular FormulaC21H46O2Si2
Molecular Weight386.77 g/mol
Exact Mass386.30
IUPAC Nametert-butyl-[(3S,4R,5S,6S)-3,5-dimethyl-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane
SMILESC=C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C)O[Si](CC)(CC)CC
InChIInChI=1S/C21H46O2Si2/c1-13-17(5)20(23-24(11,12)21(8,9)10)18(6)19(7)22-25(14-2,15-3)16-4/h13,17-20H,1,14-16H2,2-12H3/t17-,18-,19-,20+/m0/s1
InChIKeyZTDLQHIBRWVWKT-LWYYNNOASA-N
XLogP7.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.77
LogP ≤ 57.25
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'}

Analyze tert-butyl-[(3S,4R,5S,6S)-3,5-dimethyl-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane with MolForge

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Related Compounds

(2S,3R,4R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-5-triethylsilyloxydeca-7,9-dien-1-ol
CID 57352136
tert-butyl-[(3R,4R,5R,6R)-6-[(3,4-dimethoxyphenyl)methoxy]-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane
CID 11811908
(3R,4S,5R,7S,8S,9R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethylundeca-1,10-dien-6-one
CID 11648709
tert-butyl (3S,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxydec-9-enoate
CID 11398827
(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134970294
(3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol
CID 52912234
tert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane
CID 11119907
[(1S,2S,3R,4S,8S,9R,10S)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2S)-hexa-3,5-dien-2-yl]-2,4,6,8,10-pentamethyl-11-triethylsilyloxyundec-6-enoxy]-triethylsilane
CID 57352140
tert-butyl-(4,4-dimethylpent-1-en-3-yloxy)-dimethylsilane
CID 14644027
(2S,3S,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-3-trimethylsilyloxyoctanal
CID 11811175
tert-butyl-[(2S,3S)-3-ethenylhex-5-en-2-yl]oxy-dimethylsilane
CID 134863816
(2Z,4S,5R,6S,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-6,8-dimethyldeca-2,9-dien-5-ol
CID 102097557

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4R,5S,6S)-3,5-dimethyl-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4R,5S,6S)-3,5-dimethyl-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane (CID 72701903) is tert-butyl-[(3S,4R,5S,6S)-3,5-dimethyl-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4R,5S,6S)-3,5-dimethyl-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4R,5S,6S)-3,5-dimethyl-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane is C=C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C)O[Si](CC)(CC)CC.
What is the InChIKey of tert-butyl-[(3S,4R,5S,6S)-3,5-dimethyl-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane?
The InChIKey is ZTDLQHIBRWVWKT-LWYYNNOASA-N. The full InChI is InChI=1S/C21H46O2Si2/c1-13-17(5)20(23-24(11,12)21(8,9)10)18(6)19(7)22-25(14-2,15-3)16-4/h13,17-20H,1,14-16H2,2-12H3/t17-,18-,19-,20+/m0/s1.
What are the key properties of tert-butyl-[(3S,4R,5S,6S)-3,5-dimethyl-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane?
tert-butyl-[(3S,4R,5S,6S)-3,5-dimethyl-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane has a molecular weight of 386.77 g/mol, XLogP of 7.25, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4R,5S,6S)-3,5-dimethyl-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 72701903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).