tert-butyl-[(2R,3S,4S,5S,6R)-6-ethyl-4,5-dimethyl-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane

C18H36O2Si — CID 90365491

IUPACtert-butyl-[(2R,3S,4S,5S,6R)-6-ethyl-4,5-dimethyl-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane
SMILESC=CC[C@H]1O[C@H](CC)[C@@H](C)[C@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-10-12-16-17(20-21(8,9)18(5,6)7)14(4)13(3)15(11-2)19-16/h10,13-17H,1,11-12H2,2-9H3/t13-,14-,15+,16+,17-/m0/s1
InChIKeyLPHURUQEWGWPLT-SIRPWMCASA-N
MW312.57 g/mol
LogP5.40
Rot. Bonds5

About tert-butyl-[(2R,3S,4S,5S,6R)-6-ethyl-4,5-dimethyl-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3S,4S,5S,6R)-6-ethyl-4,5-dimethyl-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane (PubChem CID 90365491) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is tert-butyl-[(2R,3S,4S,5S,6R)-6-ethyl-4,5-dimethyl-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S,4S,5S,6R)-6-ethyl-4,5-dimethyl-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane
PubChem CID90365491
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Nametert-butyl-[(2R,3S,4S,5S,6R)-6-ethyl-4,5-dimethyl-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane
SMILESC=CC[C@H]1O[C@H](CC)[C@@H](C)[C@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-10-12-16-17(20-21(8,9)18(5,6)7)14(4)13(3)15(11-2)19-16/h10,13-17H,1,11-12H2,2-9H3/t13-,14-,15+,16+,17-/m0/s1
InChIKeyLPHURUQEWGWPLT-SIRPWMCASA-N
XLogP5.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.40
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S,4S,5S,6R)-6-ethyl-4,5-dimethyl-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S,4S,5S,6R)-6-ethyl-4,5-dimethyl-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane (CID 90365491) is tert-butyl-[(2R,3S,4S,5S,6R)-6-ethyl-4,5-dimethyl-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S,4S,5S,6R)-6-ethyl-4,5-dimethyl-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S,4S,5S,6R)-6-ethyl-4,5-dimethyl-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane is C=CC[C@H]1O[C@H](CC)[C@@H](C)[C@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3S,4S,5S,6R)-6-ethyl-4,5-dimethyl-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane?
The InChIKey is LPHURUQEWGWPLT-SIRPWMCASA-N. The full InChI is InChI=1S/C18H36O2Si/c1-10-12-16-17(20-21(8,9)18(5,6)7)14(4)13(3)15(11-2)19-16/h10,13-17H,1,11-12H2,2-9H3/t13-,14-,15+,16+,17-/m0/s1.
What are the key properties of tert-butyl-[(2R,3S,4S,5S,6R)-6-ethyl-4,5-dimethyl-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3S,4S,5S,6R)-6-ethyl-4,5-dimethyl-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 312.57 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S,4S,5S,6R)-6-ethyl-4,5-dimethyl-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 90365491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).