tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2-[(2R)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane

C15H30O4Si — CID 87487976

IUPACtert-butyl-[(2R,3S)-3-(methoxymethoxy)-2-[(2R)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane
SMILESC=C[C@H](OCOC)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1CO1
InChIInChI=1S/C15H30O4Si/c1-8-13(18-11-16-5)12(14-10-17-14)9-19-20(6,7)15(2,3)4/h8,12-14H,1,9-11H2,2-7H3/t12-,13+,14+/m1/s1
InChIKeyRDULBEROSULTMT-RDBSUJKOSA-N
MW302.49 g/mol
LogP3.20
Rot. Bonds9

About tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2-[(2R)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane

tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2-[(2R)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane (PubChem CID 87487976) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2-[(2R)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-3-(methoxymethoxy)-2-[(2R)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane
PubChem CID87487976
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Nametert-butyl-[(2R,3S)-3-(methoxymethoxy)-2-[(2R)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane
SMILESC=C[C@H](OCOC)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1CO1
InChIInChI=1S/C15H30O4Si/c1-8-13(18-11-16-5)12(14-10-17-14)9-19-20(6,7)15(2,3)4/h8,12-14H,1,9-11H2,2-7H3/t12-,13+,14+/m1/s1
InChIKeyRDULBEROSULTMT-RDBSUJKOSA-N
XLogP3.20
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-[(2R,3S)-3-(methoxymethoxy)-2-[(2R)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2-[(2R)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane (CID 87487976) is tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2-[(2R)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2-[(2R)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2-[(2R)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane is C=C[C@H](OCOC)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1CO1.
What is the InChIKey of tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2-[(2R)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane?
The InChIKey is RDULBEROSULTMT-RDBSUJKOSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-8-13(18-11-16-5)12(14-10-17-14)9-19-20(6,7)15(2,3)4/h8,12-14H,1,9-11H2,2-7H3/t12-,13+,14+/m1/s1.
What are the key properties of tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2-[(2R)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane?
tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2-[(2R)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane has a molecular weight of 302.49 g/mol, XLogP of 3.20, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2-[(2R)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 87487976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).