tert-butyl-dimethyl-[(3S,9R,10R)-9-methyl-10-(oxan-2-yloxy)undec-1-en-3-yl]oxysilane

C23H46O3Si — CID 44614682

IUPACtert-butyl-dimethyl-[(3S,9R,10R)-9-methyl-10-(oxan-2-yloxy)undec-1-en-3-yl]oxysilane
SMILESC=C[C@H](CCCCC[C@@H](C)[C@@H](C)OC1CCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O3Si/c1-9-21(26-27(7,8)23(4,5)6)16-12-10-11-15-19(2)20(3)25-22-17-13-14-18-24-22/h9,19-22H,1,10-18H2,2-8H3/t19-,20-,21-,22?/m1/s1
InChIKeyXYBLNRLUXBWESF-NJTYFVPYSA-N
MW398.70 g/mol
LogP7.08
Rot. Bonds12

About tert-butyl-dimethyl-[(3S,9R,10R)-9-methyl-10-(oxan-2-yloxy)undec-1-en-3-yl]oxysilane

tert-butyl-dimethyl-[(3S,9R,10R)-9-methyl-10-(oxan-2-yloxy)undec-1-en-3-yl]oxysilane (PubChem CID 44614682) has the molecular formula C23H46O3Si and a molecular weight of 398.70 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S,9R,10R)-9-methyl-10-(oxan-2-yloxy)undec-1-en-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S,9R,10R)-9-methyl-10-(oxan-2-yloxy)undec-1-en-3-yl]oxysilane
PubChem CID44614682
Molecular FormulaC23H46O3Si
Molecular Weight398.70 g/mol
Exact Mass398.32
IUPAC Nametert-butyl-dimethyl-[(3S,9R,10R)-9-methyl-10-(oxan-2-yloxy)undec-1-en-3-yl]oxysilane
SMILESC=C[C@H](CCCCC[C@@H](C)[C@@H](C)OC1CCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O3Si/c1-9-21(26-27(7,8)23(4,5)6)16-12-10-11-15-19(2)20(3)25-22-17-13-14-18-24-22/h9,19-22H,1,10-18H2,2-8H3/t19-,20-,21-,22?/m1/s1
InChIKeyXYBLNRLUXBWESF-NJTYFVPYSA-N
XLogP7.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.70
LogP ≤ 57.08
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S,9R,10R)-9-methyl-10-(oxan-2-yloxy)undec-1-en-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S,9R,10R)-9-methyl-10-(oxan-2-yloxy)undec-1-en-3-yl]oxysilane (CID 44614682) is tert-butyl-dimethyl-[(3S,9R,10R)-9-methyl-10-(oxan-2-yloxy)undec-1-en-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S,9R,10R)-9-methyl-10-(oxan-2-yloxy)undec-1-en-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S,9R,10R)-9-methyl-10-(oxan-2-yloxy)undec-1-en-3-yl]oxysilane is C=C[C@H](CCCCC[C@@H](C)[C@@H](C)OC1CCCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S,9R,10R)-9-methyl-10-(oxan-2-yloxy)undec-1-en-3-yl]oxysilane?
The InChIKey is XYBLNRLUXBWESF-NJTYFVPYSA-N. The full InChI is InChI=1S/C23H46O3Si/c1-9-21(26-27(7,8)23(4,5)6)16-12-10-11-15-19(2)20(3)25-22-17-13-14-18-24-22/h9,19-22H,1,10-18H2,2-8H3/t19-,20-,21-,22?/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3S,9R,10R)-9-methyl-10-(oxan-2-yloxy)undec-1-en-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S,9R,10R)-9-methyl-10-(oxan-2-yloxy)undec-1-en-3-yl]oxysilane has a molecular weight of 398.70 g/mol, XLogP of 7.08, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S,9R,10R)-9-methyl-10-(oxan-2-yloxy)undec-1-en-3-yl]oxysilane is sourced from PubChem (CID 44614682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).