tert-butyl-[(2R)-2-(methoxymethoxymethyl)-2,6-dimethylhept-5-enoxy]-dimethylsilane

C18H38O3Si — CID 10892887

IUPACtert-butyl-[(2R)-2-(methoxymethoxymethyl)-2,6-dimethylhept-5-enoxy]-dimethylsilane
SMILESCOCOC[C@@](C)(CCC=C(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si/c1-16(2)11-10-12-18(6,13-20-15-19-7)14-21-22(8,9)17(3,4)5/h11H,10,12-15H2,1-9H3/t18-/m1/s1
InChIKeyWBTNOOBGYFNHLD-GOSISDBHSA-N
MW330.59 g/mol
LogP5.38
Rot. Bonds10

About tert-butyl-[(2R)-2-(methoxymethoxymethyl)-2,6-dimethylhept-5-enoxy]-dimethylsilane

tert-butyl-[(2R)-2-(methoxymethoxymethyl)-2,6-dimethylhept-5-enoxy]-dimethylsilane (PubChem CID 10892887) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-(methoxymethoxymethyl)-2,6-dimethylhept-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-(methoxymethoxymethyl)-2,6-dimethylhept-5-enoxy]-dimethylsilane
PubChem CID10892887
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Nametert-butyl-[(2R)-2-(methoxymethoxymethyl)-2,6-dimethylhept-5-enoxy]-dimethylsilane
SMILESCOCOC[C@@](C)(CCC=C(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si/c1-16(2)11-10-12-18(6,13-20-15-19-7)14-21-22(8,9)17(3,4)5/h11H,10,12-15H2,1-9H3/t18-/m1/s1
InChIKeyWBTNOOBGYFNHLD-GOSISDBHSA-N
XLogP5.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-2-(methoxymethoxymethyl)-2,6-dimethylhept-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-2-(methoxymethoxymethyl)-2,6-dimethylhept-5-enoxy]-dimethylsilane (CID 10892887) is tert-butyl-[(2R)-2-(methoxymethoxymethyl)-2,6-dimethylhept-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-(methoxymethoxymethyl)-2,6-dimethylhept-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-(methoxymethoxymethyl)-2,6-dimethylhept-5-enoxy]-dimethylsilane is COCOC[C@@](C)(CCC=C(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-2-(methoxymethoxymethyl)-2,6-dimethylhept-5-enoxy]-dimethylsilane?
The InChIKey is WBTNOOBGYFNHLD-GOSISDBHSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-16(2)11-10-12-18(6,13-20-15-19-7)14-21-22(8,9)17(3,4)5/h11H,10,12-15H2,1-9H3/t18-/m1/s1.
What are the key properties of tert-butyl-[(2R)-2-(methoxymethoxymethyl)-2,6-dimethylhept-5-enoxy]-dimethylsilane?
tert-butyl-[(2R)-2-(methoxymethoxymethyl)-2,6-dimethylhept-5-enoxy]-dimethylsilane has a molecular weight of 330.59 g/mol, XLogP of 5.38, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-(methoxymethoxymethyl)-2,6-dimethylhept-5-enoxy]-dimethylsilane is sourced from PubChem (CID 10892887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).