tri(propan-2-yl)-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane

C28H56O2Si — CID 170688768

IUPACtri(propan-2-yl)-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane
SMILESCC(C)OCCCOCCCCCCCCCCCC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H56O2Si/c1-25(2)30-23-20-22-29-21-18-16-14-12-10-9-11-13-15-17-19-24-31(26(3)4,27(5)6)28(7)8/h25-28H,9-18,20-23H2,1-8H3
InChIKeyITQCBGUEIGUJEV-UHFFFAOYSA-N
MW452.84 g/mol
LogP8.94
Rot. Bonds19

About tri(propan-2-yl)-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane

tri(propan-2-yl)-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane (PubChem CID 170688768) has the molecular formula C28H56O2Si and a molecular weight of 452.84 g/mol. Its IUPAC name is tri(propan-2-yl)-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane
PubChem CID170688768
Molecular FormulaC28H56O2Si
Molecular Weight452.84 g/mol
Exact Mass452.40
IUPAC Nametri(propan-2-yl)-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane
SMILESCC(C)OCCCOCCCCCCCCCCCC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H56O2Si/c1-25(2)30-23-20-22-29-21-18-16-14-12-10-9-11-13-15-17-19-24-31(26(3)4,27(5)6)28(7)8/h25-28H,9-18,20-23H2,1-8H3
InChIKeyITQCBGUEIGUJEV-UHFFFAOYSA-N
XLogP8.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.84
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane
CID 170688923
(15,15-Difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane
CID 170689021
Silane, dimethyl(non-5-yn-3-yloxy)heptyloxy-
CID 91736746
Silane, diethylbutoxy(dodec-9-ynyloxy)-
CID 91737542
Silane, diethyl(dodec-9-ynyloxy)pentyloxy-
CID 91737543
Silane, diethyl(dodec-9-ynyloxy)octyloxy-
CID 91737544
Silane, diethyl(dodec-9-ynyloxy)nonyloxy-
CID 91737545
Silane, diethyldecyloxy(dodec-9-ynyloxy)-
CID 91737546
Silane, diethyl(dodec-9-ynyloxy)undecyloxy-
CID 91737547
Silane, diethyldi(dodec-9-ynyloxy)-
CID 91737548
Silane, diethyl(dodec-9-ynyloxy)dodecyloxy-
CID 91737549
Silane, dimethyl(hex-4-yn-3-yloxy)octyloxy-
CID 91738893

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane?
The IUPAC name of tri(propan-2-yl)-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane (CID 170688768) is tri(propan-2-yl)-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane is CC(C)OCCCOCCCCCCCCCCCC#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane?
The InChIKey is ITQCBGUEIGUJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O2Si/c1-25(2)30-23-20-22-29-21-18-16-14-12-10-9-11-13-15-17-19-24-31(26(3)4,27(5)6)28(7)8/h25-28H,9-18,20-23H2,1-8H3.
What are the key properties of tri(propan-2-yl)-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane?
tri(propan-2-yl)-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane has a molecular weight of 452.84 g/mol, XLogP of 8.94, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane is sourced from PubChem (CID 170688768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).