tert-butyl-[(4S,6S)-6-(1-methoxyprop-2-enoxy)-4-methylnon-8-enoxy]-diphenylsilane

C30H44O3Si — CID 11248642

IUPACtert-butyl-[(4S,6S)-6-(1-methoxyprop-2-enoxy)-4-methylnon-8-enoxy]-diphenylsilane
SMILESC=CC[C@@H](C[C@@H](C)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(C=C)OC
InChIInChI=1S/C30H44O3Si/c1-8-17-26(33-29(9-2)31-7)24-25(3)18-16-23-32-34(30(4,5)6,27-19-12-10-13-20-27)28-21-14-11-15-22-28/h8-15,19-22,25-26,29H,1-2,16-18,23-24H2,3-7H3/t25-,26-,29?/m0/s1
InChIKeyYRHYFMYRBNYPKE-QEGCZXFXSA-N
MW480.77 g/mol
LogP6.49
Rot. Bonds15

About tert-butyl-[(4S,6S)-6-(1-methoxyprop-2-enoxy)-4-methylnon-8-enoxy]-diphenylsilane

tert-butyl-[(4S,6S)-6-(1-methoxyprop-2-enoxy)-4-methylnon-8-enoxy]-diphenylsilane (PubChem CID 11248642) has the molecular formula C30H44O3Si and a molecular weight of 480.77 g/mol. Its IUPAC name is tert-butyl-[(4S,6S)-6-(1-methoxyprop-2-enoxy)-4-methylnon-8-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S,6S)-6-(1-methoxyprop-2-enoxy)-4-methylnon-8-enoxy]-diphenylsilane
PubChem CID11248642
Molecular FormulaC30H44O3Si
Molecular Weight480.77 g/mol
Exact Mass480.31
IUPAC Nametert-butyl-[(4S,6S)-6-(1-methoxyprop-2-enoxy)-4-methylnon-8-enoxy]-diphenylsilane
SMILESC=CC[C@@H](C[C@@H](C)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(C=C)OC
InChIInChI=1S/C30H44O3Si/c1-8-17-26(33-29(9-2)31-7)24-25(3)18-16-23-32-34(30(4,5)6,27-19-12-10-13-20-27)28-21-14-11-15-22-28/h8-15,19-22,25-26,29H,1-2,16-18,23-24H2,3-7H3/t25-,26-,29?/m0/s1
InChIKeyYRHYFMYRBNYPKE-QEGCZXFXSA-N
XLogP6.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.77
LogP ≤ 56.49
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-[(4S,6S)-6-(1-methoxyprop-2-enoxy)-4-methylnon-8-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(4S,6S)-6-(1-methoxyprop-2-enoxy)-4-methylnon-8-enoxy]-diphenylsilane (CID 11248642) is tert-butyl-[(4S,6S)-6-(1-methoxyprop-2-enoxy)-4-methylnon-8-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(4S,6S)-6-(1-methoxyprop-2-enoxy)-4-methylnon-8-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(4S,6S)-6-(1-methoxyprop-2-enoxy)-4-methylnon-8-enoxy]-diphenylsilane is C=CC[C@@H](C[C@@H](C)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(C=C)OC.
What is the InChIKey of tert-butyl-[(4S,6S)-6-(1-methoxyprop-2-enoxy)-4-methylnon-8-enoxy]-diphenylsilane?
The InChIKey is YRHYFMYRBNYPKE-QEGCZXFXSA-N. The full InChI is InChI=1S/C30H44O3Si/c1-8-17-26(33-29(9-2)31-7)24-25(3)18-16-23-32-34(30(4,5)6,27-19-12-10-13-20-27)28-21-14-11-15-22-28/h8-15,19-22,25-26,29H,1-2,16-18,23-24H2,3-7H3/t25-,26-,29?/m0/s1.
What are the key properties of tert-butyl-[(4S,6S)-6-(1-methoxyprop-2-enoxy)-4-methylnon-8-enoxy]-diphenylsilane?
tert-butyl-[(4S,6S)-6-(1-methoxyprop-2-enoxy)-4-methylnon-8-enoxy]-diphenylsilane has a molecular weight of 480.77 g/mol, XLogP of 6.49, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S,6S)-6-(1-methoxyprop-2-enoxy)-4-methylnon-8-enoxy]-diphenylsilane is sourced from PubChem (CID 11248642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).