tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane

C40H58O3Si — CID 145367352

IUPACtert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCC#CCCCCCCCC#CCCCCOC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H58O3Si/c1-40(2,3)44(37-29-21-19-22-30-37,38-31-23-20-24-32-38)43-36-27-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-26-34-41-39-33-25-28-35-42-39/h19-24,29-32,39H,4-10,15-18,25-28,33-36H2,1-3H3
InChIKeyAZJUJPRFYZUINT-UHFFFAOYSA-N
MW614.99 g/mol
LogP9.18
Rot. Bonds18

About tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane

tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane (PubChem CID 145367352) has the molecular formula C40H58O3Si and a molecular weight of 614.99 g/mol. Its IUPAC name is tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane
PubChem CID145367352
Molecular FormulaC40H58O3Si
Molecular Weight614.99 g/mol
Exact Mass614.42
IUPAC Nametert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCC#CCCCCCCCC#CCCCCOC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H58O3Si/c1-40(2,3)44(37-29-21-19-22-30-37,38-31-23-20-24-32-38)43-36-27-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-26-34-41-39-33-25-28-35-42-39/h19-24,29-32,39H,4-10,15-18,25-28,33-36H2,1-3H3
InChIKeyAZJUJPRFYZUINT-UHFFFAOYSA-N
XLogP9.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.99
LogP ≤ 59.18
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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Related Compounds

tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996
2-hexadeca-6,12-diynoxyoxane
CID 163386043
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
2-heptadec-13-ynoxyoxane
CID 11099777
tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane
CID 166561282
8-(oxan-2-yloxy)oct-2-yn-1-ol
CID 20521626
2-(13,13,14,14-tetradeuteriohexadec-8-ynoxy)oxane
CID 71479982
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
CID 101368247
CID 101368247
tert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane
CID 10602504
(3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol
CID 175678466

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane (CID 145367352) is tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane is CC(C)(C)[Si](OCCCCC#CCCCCCCCC#CCCCCOC1CCCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane?
The InChIKey is AZJUJPRFYZUINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H58O3Si/c1-40(2,3)44(37-29-21-19-22-30-37,38-31-23-20-24-32-38)43-36-27-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-26-34-41-39-33-25-28-35-42-39/h19-24,29-32,39H,4-10,15-18,25-28,33-36H2,1-3H3.
What are the key properties of tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane?
tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane has a molecular weight of 614.99 g/mol, XLogP of 9.18, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane is sourced from PubChem (CID 145367352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).