tert-butyl-[9-(oxan-2-yloxy)nona-3,6-diynoxy]-diphenylsilane

C30H38O3Si — CID 14463512

IUPACtert-butyl-[9-(oxan-2-yloxy)nona-3,6-diynoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCC#CCC#CCCOC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H38O3Si/c1-30(2,3)34(27-19-11-9-12-20-27,28-21-13-10-14-22-28)33-26-17-8-6-4-5-7-16-24-31-29-23-15-18-25-32-29/h9-14,19-22,29H,4,15-18,23-26H2,1-3H3
InChIKeyKHQHJEDSNFRLLF-UHFFFAOYSA-N
MW474.72 g/mol
LogP5.28
Rot. Bonds8

About tert-butyl-[9-(oxan-2-yloxy)nona-3,6-diynoxy]-diphenylsilane

tert-butyl-[9-(oxan-2-yloxy)nona-3,6-diynoxy]-diphenylsilane (PubChem CID 14463512) has the molecular formula C30H38O3Si and a molecular weight of 474.72 g/mol. Its IUPAC name is tert-butyl-[9-(oxan-2-yloxy)nona-3,6-diynoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[9-(oxan-2-yloxy)nona-3,6-diynoxy]-diphenylsilane
PubChem CID14463512
Molecular FormulaC30H38O3Si
Molecular Weight474.72 g/mol
Exact Mass474.26
IUPAC Nametert-butyl-[9-(oxan-2-yloxy)nona-3,6-diynoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCC#CCC#CCCOC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H38O3Si/c1-30(2,3)34(27-19-11-9-12-20-27,28-21-13-10-14-22-28)33-26-17-8-6-4-5-7-16-24-31-29-23-15-18-25-32-29/h9-14,19-22,29H,4,15-18,23-26H2,1-3H3
InChIKeyKHQHJEDSNFRLLF-UHFFFAOYSA-N
XLogP5.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.72
LogP ≤ 55.28
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[9-(oxan-2-yloxy)nona-3,6-diynoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[9-(oxan-2-yloxy)nona-3,6-diynoxy]-diphenylsilane (CID 14463512) is tert-butyl-[9-(oxan-2-yloxy)nona-3,6-diynoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[9-(oxan-2-yloxy)nona-3,6-diynoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[9-(oxan-2-yloxy)nona-3,6-diynoxy]-diphenylsilane is CC(C)(C)[Si](OCCC#CCC#CCCOC1CCCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[9-(oxan-2-yloxy)nona-3,6-diynoxy]-diphenylsilane?
The InChIKey is KHQHJEDSNFRLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O3Si/c1-30(2,3)34(27-19-11-9-12-20-27,28-21-13-10-14-22-28)33-26-17-8-6-4-5-7-16-24-31-29-23-15-18-25-32-29/h9-14,19-22,29H,4,15-18,23-26H2,1-3H3.
What are the key properties of tert-butyl-[9-(oxan-2-yloxy)nona-3,6-diynoxy]-diphenylsilane?
tert-butyl-[9-(oxan-2-yloxy)nona-3,6-diynoxy]-diphenylsilane has a molecular weight of 474.72 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[9-(oxan-2-yloxy)nona-3,6-diynoxy]-diphenylsilane is sourced from PubChem (CID 14463512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).