3-[(2S,3S)-5-butoxy-3-ethenyl-3-methyloxolan-2-yl]propoxy-tert-butyl-dimethylsilane

C20H40O3Si — CID 134867225

IUPAC3-[(2S,3S)-5-butoxy-3-ethenyl-3-methyloxolan-2-yl]propoxy-tert-butyl-dimethylsilane
SMILESC=C[C@]1(C)CC(OCCCC)O[C@H]1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O3Si/c1-9-11-14-21-18-16-20(6,10-2)17(23-18)13-12-15-22-24(7,8)19(3,4)5/h10,17-18H,2,9,11-16H2,1,3-8H3/t17-,18?,20+/m0/s1
InChIKeyWVYACAJPMGKHAV-NKUTVCTDSA-N
MW356.62 g/mol
LogP5.91
Rot. Bonds10

About 3-[(2S,3S)-5-butoxy-3-ethenyl-3-methyloxolan-2-yl]propoxy-tert-butyl-dimethylsilane

3-[(2S,3S)-5-butoxy-3-ethenyl-3-methyloxolan-2-yl]propoxy-tert-butyl-dimethylsilane (PubChem CID 134867225) has the molecular formula C20H40O3Si and a molecular weight of 356.62 g/mol. Its IUPAC name is 3-[(2S,3S)-5-butoxy-3-ethenyl-3-methyloxolan-2-yl]propoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name3-[(2S,3S)-5-butoxy-3-ethenyl-3-methyloxolan-2-yl]propoxy-tert-butyl-dimethylsilane
PubChem CID134867225
Molecular FormulaC20H40O3Si
Molecular Weight356.62 g/mol
Exact Mass356.27
IUPAC Name3-[(2S,3S)-5-butoxy-3-ethenyl-3-methyloxolan-2-yl]propoxy-tert-butyl-dimethylsilane
SMILESC=C[C@]1(C)CC(OCCCC)O[C@H]1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O3Si/c1-9-11-14-21-18-16-20(6,10-2)17(23-18)13-12-15-22-24(7,8)19(3,4)5/h10,17-18H,2,9,11-16H2,1,3-8H3/t17-,18?,20+/m0/s1
InChIKeyWVYACAJPMGKHAV-NKUTVCTDSA-N
XLogP5.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3S)-5-butoxy-3-ethenyl-3-methyloxolan-2-yl]propoxy-tert-butyl-dimethylsilane?
The IUPAC name of 3-[(2S,3S)-5-butoxy-3-ethenyl-3-methyloxolan-2-yl]propoxy-tert-butyl-dimethylsilane (CID 134867225) is 3-[(2S,3S)-5-butoxy-3-ethenyl-3-methyloxolan-2-yl]propoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 3-[(2S,3S)-5-butoxy-3-ethenyl-3-methyloxolan-2-yl]propoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 3-[(2S,3S)-5-butoxy-3-ethenyl-3-methyloxolan-2-yl]propoxy-tert-butyl-dimethylsilane is C=C[C@]1(C)CC(OCCCC)O[C@H]1CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[(2S,3S)-5-butoxy-3-ethenyl-3-methyloxolan-2-yl]propoxy-tert-butyl-dimethylsilane?
The InChIKey is WVYACAJPMGKHAV-NKUTVCTDSA-N. The full InChI is InChI=1S/C20H40O3Si/c1-9-11-14-21-18-16-20(6,10-2)17(23-18)13-12-15-22-24(7,8)19(3,4)5/h10,17-18H,2,9,11-16H2,1,3-8H3/t17-,18?,20+/m0/s1.
What are the key properties of 3-[(2S,3S)-5-butoxy-3-ethenyl-3-methyloxolan-2-yl]propoxy-tert-butyl-dimethylsilane?
3-[(2S,3S)-5-butoxy-3-ethenyl-3-methyloxolan-2-yl]propoxy-tert-butyl-dimethylsilane has a molecular weight of 356.62 g/mol, XLogP of 5.91, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3S)-5-butoxy-3-ethenyl-3-methyloxolan-2-yl]propoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134867225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).