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

C15H32O3Si — CID 11369733

IUPACtert-butyl-[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpent-4-enoxy]-dimethylsilane
SMILESC=C(C)[C@@H](OCOC)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-12(2)14(17-11-16-7)13(3)10-18-19(8,9)15(4,5)6/h13-14H,1,10-11H2,2-9H3/t13-,14-/m1/s1
InChIKeyQAVQWVMDJFUQNK-ZIAGYGMSSA-N
MW288.50 g/mol
LogP4.21
Rot. Bonds8

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

tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpent-4-enoxy]-dimethylsilane (PubChem CID 11369733) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpent-4-enoxy]-dimethylsilane
PubChem CID11369733
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Nametert-butyl-[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpent-4-enoxy]-dimethylsilane
SMILESC=C(C)[C@@H](OCOC)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-12(2)14(17-11-16-7)13(3)10-18-19(8,9)15(4,5)6/h13-14H,1,10-11H2,2-9H3/t13-,14-/m1/s1
InChIKeyQAVQWVMDJFUQNK-ZIAGYGMSSA-N
XLogP4.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpent-4-enoxy]-dimethylsilane (CID 11369733) is tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpent-4-enoxy]-dimethylsilane is C=C(C)[C@@H](OCOC)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpent-4-enoxy]-dimethylsilane?
The InChIKey is QAVQWVMDJFUQNK-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-12(2)14(17-11-16-7)13(3)10-18-19(8,9)15(4,5)6/h13-14H,1,10-11H2,2-9H3/t13-,14-/m1/s1.
What are the key properties of tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpent-4-enoxy]-dimethylsilane?
tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpent-4-enoxy]-dimethylsilane has a molecular weight of 288.50 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 11369733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).