tert-butyl-dimethyl-[(2S,3S)-2-[(2R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane

C18H36O2Si — CID 58297750

IUPACtert-butyl-dimethyl-[(2S,3S)-2-[(2R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane
SMILESC=C[C@@H](C)CC1O[C@@H]1[C@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-10-13(3)12-16-17(19-16)14(4)15(11-2)20-21(8,9)18(5,6)7/h10,13-17H,1,11-12H2,2-9H3/t13-,14-,15+,16?,17-/m1/s1
InChIKeyKYINPBKFPADSRX-CTVHLWBWSA-N
MW312.57 g/mol
LogP5.40
Rot. Bonds8

About tert-butyl-dimethyl-[(2S,3S)-2-[(2R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane

tert-butyl-dimethyl-[(2S,3S)-2-[(2R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane (PubChem CID 58297750) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S,3S)-2-[(2R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S,3S)-2-[(2R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane
PubChem CID58297750
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Nametert-butyl-dimethyl-[(2S,3S)-2-[(2R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane
SMILESC=C[C@@H](C)CC1O[C@@H]1[C@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-10-13(3)12-16-17(19-16)14(4)15(11-2)20-21(8,9)18(5,6)7/h10,13-17H,1,11-12H2,2-9H3/t13-,14-,15+,16?,17-/m1/s1
InChIKeyKYINPBKFPADSRX-CTVHLWBWSA-N
XLogP5.40
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S,3S)-2-[(2R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S,3S)-2-[(2R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane (CID 58297750) is tert-butyl-dimethyl-[(2S,3S)-2-[(2R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S,3S)-2-[(2R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S,3S)-2-[(2R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane is C=C[C@@H](C)CC1O[C@@H]1[C@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S,3S)-2-[(2R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane?
The InChIKey is KYINPBKFPADSRX-CTVHLWBWSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-10-13(3)12-16-17(19-16)14(4)15(11-2)20-21(8,9)18(5,6)7/h10,13-17H,1,11-12H2,2-9H3/t13-,14-,15+,16?,17-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2S,3S)-2-[(2R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane?
tert-butyl-dimethyl-[(2S,3S)-2-[(2R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane has a molecular weight of 312.57 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S,3S)-2-[(2R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane is sourced from PubChem (CID 58297750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).