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

C30H58O4Si — CID 159007452

IUPACtert-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
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.C=C[C@@H](C)C[C@H]1O[C@@H]1[C@H](C)[C@@H](O)CC
InChIInChI=1S/C18H36O2Si.C12H22O2/c1-10-13(3)12-16-17(19-16)14(4)15(11-2)20-21(8,9)18(5,6)7;1-5-8(3)7-11-12(14-11)9(4)10(13)6-2/h10,13-17H,1,11-12H2,2-9H3;5,8-13H,1,6-7H2,2-4H3/t13-,14-,15-,16-,17-;8-,9-,10+,11-,12-/m11/s1
InChIKeyJSCDNVPDXHCVLH-ZOQWMZPUSA-N
MW510.88 g/mol
LogP7.78
Rot. Bonds14

About 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

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 (PubChem CID 159007452) has the molecular formula C30H58O4Si and a molecular weight of 510.88 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;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol.

Molecular Properties

Compound Nametert-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
PubChem CID159007452
Molecular FormulaC30H58O4Si
Molecular Weight510.88 g/mol
Exact Mass510.41
IUPAC Nametert-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
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.C=C[C@@H](C)C[C@H]1O[C@@H]1[C@H](C)[C@@H](O)CC
InChIInChI=1S/C18H36O2Si.C12H22O2/c1-10-13(3)12-16-17(19-16)14(4)15(11-2)20-21(8,9)18(5,6)7;1-5-8(3)7-11-12(14-11)9(4)10(13)6-2/h10,13-17H,1,11-12H2,2-9H3;5,8-13H,1,6-7H2,2-4H3/t13-,14-,15-,16-,17-;8-,9-,10+,11-,12-/m11/s1
InChIKeyJSCDNVPDXHCVLH-ZOQWMZPUSA-N
XLogP7.78
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.88
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

(2R)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-hydroxy-2-methylpropanal
CID 90440610
(3R,5R,6S)-6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3,5-dimethyloxan-2-ol
CID 11823718
tert-butyl-dimethyl-[(2S,3R)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane;[(2S,3S,4E,6S,7R,10R)-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate;[(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-3,7-dimethyl-12-oxo-2-[(2E)-penta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] acetate
CID 162224755
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol
CID 72722963
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
tert-butyl-[(2S,3S,6S)-1-iodo-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane
CID 10524787
(2R,3S)-2-[(2R,3R)-3-[(2R)-2-hydroxy-2-methylbut-3-ynyl]oxiran-2-yl]pentan-3-ol
CID 171561778
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723
(3R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylheptan-3-ol
CID 58012730
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
CID 14175294
[(2S,3S)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]methanol
CID 164821939

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;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol?
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;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol (CID 159007452) is 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.
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;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol?
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;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol 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.C=C[C@@H](C)C[C@H]1O[C@@H]1[C@H](C)[C@@H](O)CC.
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;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol?
The InChIKey is JSCDNVPDXHCVLH-ZOQWMZPUSA-N. The full InChI is InChI=1S/C18H36O2Si.C12H22O2/c1-10-13(3)12-16-17(19-16)14(4)15(11-2)20-21(8,9)18(5,6)7;1-5-8(3)7-11-12(14-11)9(4)10(13)6-2/h10,13-17H,1,11-12H2,2-9H3;5,8-13H,1,6-7H2,2-4H3/t13-,14-,15-,16-,17-;8-,9-,10+,11-,12-/m11/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;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol?
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 has a molecular weight of 510.88 g/mol, XLogP of 7.78, 14 rotatable bonds, 1 hydrogen bond donors, and 4 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;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol is sourced from PubChem (CID 159007452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).