tert-butyl-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane

C22H42O5Si — CID 10251246

IUPACtert-butyl-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane
SMILESCC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C22H42O5Si/c1-11-12-13-14-16(27-28(9,10)20(2,3)4)18-19(26-22(7,8)25-18)17-15-23-21(5,6)24-17/h12-13,16-19H,11,14-15H2,1-10H3/b13-12-/t16-,17+,18-,19-/m0/s1
InChIKeyNBKTZJVRTFYPAA-QQNLFIRKSA-N
MW414.66 g/mol
LogP5.40
Rot. Bonds7

About tert-butyl-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane

tert-butyl-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane (PubChem CID 10251246) has the molecular formula C22H42O5Si and a molecular weight of 414.66 g/mol. Its IUPAC name is tert-butyl-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane
PubChem CID10251246
Molecular FormulaC22H42O5Si
Molecular Weight414.66 g/mol
Exact Mass414.28
IUPAC Nametert-butyl-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane
SMILESCC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C22H42O5Si/c1-11-12-13-14-16(27-28(9,10)20(2,3)4)18-19(26-22(7,8)25-18)17-15-23-21(5,6)24-17/h12-13,16-19H,11,14-15H2,1-10H3/b13-12-/t16-,17+,18-,19-/m0/s1
InChIKeyNBKTZJVRTFYPAA-QQNLFIRKSA-N
XLogP5.40
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.66
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane (CID 10251246) is tert-butyl-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane is CC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane?
The InChIKey is NBKTZJVRTFYPAA-QQNLFIRKSA-N. The full InChI is InChI=1S/C22H42O5Si/c1-11-12-13-14-16(27-28(9,10)20(2,3)4)18-19(26-22(7,8)25-18)17-15-23-21(5,6)24-17/h12-13,16-19H,11,14-15H2,1-10H3/b13-12-/t16-,17+,18-,19-/m0/s1.
What are the key properties of tert-butyl-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane?
tert-butyl-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane has a molecular weight of 414.66 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane is sourced from PubChem (CID 10251246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).