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

C18H36O2Si — CID 140522599

IUPACtert-butyl-dimethyl-[(2S,3R)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane
SMILESC=C[C@@H](C)C[C@H]1O[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-WRQOLXDDSA-N
MW312.57 g/mol
LogP5.40
Rot. Bonds8

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

tert-butyl-dimethyl-[(2S,3R)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane (PubChem CID 140522599) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S,3R)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S,3R)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane
PubChem CID140522599
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Nametert-butyl-dimethyl-[(2S,3R)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane
SMILESC=C[C@@H](C)C[C@H]1O[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-WRQOLXDDSA-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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Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[[(2S,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 11196881
[(2R)-1-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpentan-2-yl]oxy-tri(propan-2-yl)silane
CID 134864246
tert-butyl-dimethyl-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 134960630
tert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane
CID 135015253
tert-butyl-[(2R,5S,7S)-5,7-dimethylnon-8-en-2-yl]oxy-dimethylsilane
CID 162396979
tert-butyl-dimethyl-[(2S,3S)-2-[(2R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane
CID 58297750
tert-butyl-dimethyl-[(2S,3S)-2-[(2R,3S)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane
CID 59516385
Tert-butyl-dimethyl-(5-methylheptadeca-1,16-dien-7-yloxy)silane
CID 85171021
tert-butyl[((1S,2S)-1-ethyl-2-{(2R,3R)-3-[(2S)-2-methylbut-3-en-1-yl]oxiran-2-yl}propyl)oxy]dimethylsilane
CID 86625626
tert-butyl-dimethyl-[(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane
CID 87211183
tert-butyl-[(2R,3S,4S,5S,6R)-6-ethyl-4,5-dimethyl-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane
CID 90365491
tert-butyl-dimethyl-[(2S,3R)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol
CID 159007452

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S,3R)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S,3R)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane (CID 140522599) is tert-butyl-dimethyl-[(2S,3R)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S,3R)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S,3R)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane is C=C[C@@H](C)C[C@H]1O[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,3R)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane?
The InChIKey is KYINPBKFPADSRX-WRQOLXDDSA-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,3R)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane?
tert-butyl-dimethyl-[(2S,3R)-2-[(2R,3R)-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,3R)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane is sourced from PubChem (CID 140522599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).