tert-butyl-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane

C21H38O2Si — CID 135077331

IUPACtert-butyl-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane
SMILESC/C=C/C/C=C/C/C=C/C[C@@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O2Si/c1-7-8-9-10-11-12-13-14-16-19-20(17-15-18-22-19)23-24(5,6)21(2,3)4/h7-8,10-11,13-14,19-20H,9,12,15-18H2,1-6H3/b8-7+,11-10+,14-13+/t19-,20+/m0/s1
InChIKeyHRWBXCSXMUCNSJ-KUOQCNDVSA-N
MW350.62 g/mol
LogP6.41
Rot. Bonds8

About tert-butyl-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane (PubChem CID 135077331) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is tert-butyl-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane
PubChem CID135077331
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Nametert-butyl-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane
SMILESC/C=C/C/C=C/C/C=C/C[C@@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O2Si/c1-7-8-9-10-11-12-13-14-16-19-20(17-15-18-22-19)23-24(5,6)21(2,3)4/h7-8,10-11,13-14,19-20H,9,12,15-18H2,1-6H3/b8-7+,11-10+,14-13+/t19-,20+/m0/s1
InChIKeyHRWBXCSXMUCNSJ-KUOQCNDVSA-N
XLogP6.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 56.41
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-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

(E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-en-1-ol
CID 44397485
tert-butyl-dimethyl-[(2R,3S,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185879
tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
CID 24808853
tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane
CID 56593729
tert-butyl-[(2R,3R,6S)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
CID 101545939
tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane
CID 134842406
tert-butyl-dimethyl-[(2R,3S)-2-pent-4-enyloxan-3-yl]oxysilane
CID 10636839
(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol
CID 101349439
Tert-butyl-[6-(methoxymethyl)-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane
CID 57928140
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxan-2-yl]prop-2-enoxy]silane
CID 60088510
Tert-butyl-dimethyl-[(6-prop-2-enyloxan-2-yl)methoxy]silane
CID 67763386
[(Z)-2-butoxyhenicos-4-enoxy]-tert-butyl-dimethylsilane
CID 89050163

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane (CID 135077331) is tert-butyl-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane is C/C=C/C/C=C/C/C=C/C[C@@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane?
The InChIKey is HRWBXCSXMUCNSJ-KUOQCNDVSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-7-8-9-10-11-12-13-14-16-19-20(17-15-18-22-19)23-24(5,6)21(2,3)4/h7-8,10-11,13-14,19-20H,9,12,15-18H2,1-6H3/b8-7+,11-10+,14-13+/t19-,20+/m0/s1.
What are the key properties of tert-butyl-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane has a molecular weight of 350.62 g/mol, XLogP of 6.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 135077331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).