[(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyl-4-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane

C20H38O3Si — CID 102291863

IUPAC[(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyl-4-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C[C@@H]1C[C@](C)(O[Si](C)(C)C(C)(C)C)C[C@H](/C=C\OCCCC)O1
InChIInChI=1S/C20H38O3Si/c1-9-11-13-21-14-12-18-16-20(6,15-17(10-2)22-18)23-24(7,8)19(3,4)5/h10,12,14,17-18H,2,9,11,13,15-16H2,1,3-8H3/b14-12-/t17-,18+,20+/m1/s1
InChIKeyIFWDAMORRCVYSD-AFCDGMDYSA-N
MW354.61 g/mol
LogP5.83
Rot. Bonds8

About [(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyl-4-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane

[(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyl-4-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 102291863) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is [(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyl-4-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyl-4-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID102291863
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name[(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyl-4-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C[C@@H]1C[C@](C)(O[Si](C)(C)C(C)(C)C)C[C@H](/C=C\OCCCC)O1
InChIInChI=1S/C20H38O3Si/c1-9-11-13-21-14-12-18-16-20(6,15-17(10-2)22-18)23-24(7,8)19(3,4)5/h10,12,14,17-18H,2,9,11,13,15-16H2,1,3-8H3/b14-12-/t17-,18+,20+/m1/s1
InChIKeyIFWDAMORRCVYSD-AFCDGMDYSA-N
XLogP5.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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

[(2S,4S,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 101556891
[(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 102291861
3-[[(2R,4S)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane
CID 11268152
[2-(2-Butoxyethenyl)-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 123353235
[(2S,4R,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 140601463
3-[[(2R,4R)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane
CID 11416830

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyl-4-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyl-4-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane (CID 102291863) is [(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyl-4-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyl-4-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyl-4-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane is C=C[C@@H]1C[C@](C)(O[Si](C)(C)C(C)(C)C)C[C@H](/C=C\OCCCC)O1.
What is the InChIKey of [(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyl-4-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is IFWDAMORRCVYSD-AFCDGMDYSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-9-11-13-21-14-12-18-16-20(6,15-17(10-2)22-18)23-24(7,8)19(3,4)5/h10,12,14,17-18H,2,9,11,13,15-16H2,1,3-8H3/b14-12-/t17-,18+,20+/m1/s1.
What are the key properties of [(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyl-4-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
[(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyl-4-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 354.61 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyl-4-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102291863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).