tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enoxy]-dimethylsilane

C18H40O2Si2 — CID 11336893

IUPACtert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enoxy]-dimethylsilane
SMILESC=C(C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O2Si2/c1-15(2)16(20-22(11,12)18(6,7)8)13-14-19-21(9,10)17(3,4)5/h16H,1,13-14H2,2-12H3/t16-/m0/s1
InChIKeyKYHKBQYBJIBADS-INIZCTEOSA-N
MW344.69 g/mol
LogP6.36
Rot. Bonds7

About tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enoxy]-dimethylsilane

tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enoxy]-dimethylsilane (PubChem CID 11336893) has the molecular formula C18H40O2Si2 and a molecular weight of 344.69 g/mol. Its IUPAC name is tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enoxy]-dimethylsilane
PubChem CID11336893
Molecular FormulaC18H40O2Si2
Molecular Weight344.69 g/mol
Exact Mass344.26
IUPAC Nametert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enoxy]-dimethylsilane
SMILESC=C(C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O2Si2/c1-15(2)16(20-22(11,12)18(6,7)8)13-14-19-21(9,10)17(3,4)5/h16H,1,13-14H2,2-12H3/t16-/m0/s1
InChIKeyKYHKBQYBJIBADS-INIZCTEOSA-N
XLogP6.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.69
LogP ≤ 56.36
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enoxy]-dimethylsilane (CID 11336893) is tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enoxy]-dimethylsilane is C=C(C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enoxy]-dimethylsilane?
The InChIKey is KYHKBQYBJIBADS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H40O2Si2/c1-15(2)16(20-22(11,12)18(6,7)8)13-14-19-21(9,10)17(3,4)5/h16H,1,13-14H2,2-12H3/t16-/m0/s1.
What are the key properties of tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enoxy]-dimethylsilane?
tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enoxy]-dimethylsilane has a molecular weight of 344.69 g/mol, XLogP of 6.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 11336893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).