tri(propan-2-yl)-[[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxy]silane

C44H84O5Si — CID 150306604

IUPACtri(propan-2-yl)-[[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxy]silane
SMILESC=CCCCCCCCCO[C@@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OCCCCCCCCC=C)[C@H]1OCCCCCCCCC=C
InChIInChI=1S/C44H84O5Si/c1-10-13-16-19-22-25-28-31-34-45-42-41(37-48-50(38(4)5,39(6)7)40(8)9)49-44(47-36-33-30-27-24-21-18-15-12-3)43(42)46-35-32-29-26-23-20-17-14-11-2/h10-12,38-44H,1-3,13-37H2,4-9H3/t41-,42-,43-,44-/m1/s1
InChIKeyGKSNRYVKBRBMPL-OWIHLRRYSA-N
MW721.24 g/mol
LogP13.44
Rot. Bonds36

About tri(propan-2-yl)-[[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxy]silane

tri(propan-2-yl)-[[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxy]silane (PubChem CID 150306604) has the molecular formula C44H84O5Si and a molecular weight of 721.24 g/mol. Its IUPAC name is tri(propan-2-yl)-[[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxy]silane
PubChem CID150306604
Molecular FormulaC44H84O5Si
Molecular Weight721.24 g/mol
Exact Mass720.61
IUPAC Nametri(propan-2-yl)-[[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxy]silane
SMILESC=CCCCCCCCCO[C@@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OCCCCCCCCC=C)[C@H]1OCCCCCCCCC=C
InChIInChI=1S/C44H84O5Si/c1-10-13-16-19-22-25-28-31-34-45-42-41(37-48-50(38(4)5,39(6)7)40(8)9)49-44(47-36-33-30-27-24-21-18-15-12-3)43(42)46-35-32-29-26-23-20-17-14-11-2/h10-12,38-44H,1-3,13-37H2,4-9H3/t41-,42-,43-,44-/m1/s1
InChIKeyGKSNRYVKBRBMPL-OWIHLRRYSA-N
XLogP13.44
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds36
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.24
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 tri(propan-2-yl)-[[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxy]silane?
The IUPAC name of tri(propan-2-yl)-[[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxy]silane (CID 150306604) is tri(propan-2-yl)-[[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxy]silane is C=CCCCCCCCCO[C@@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OCCCCCCCCC=C)[C@H]1OCCCCCCCCC=C.
What is the InChIKey of tri(propan-2-yl)-[[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxy]silane?
The InChIKey is GKSNRYVKBRBMPL-OWIHLRRYSA-N. The full InChI is InChI=1S/C44H84O5Si/c1-10-13-16-19-22-25-28-31-34-45-42-41(37-48-50(38(4)5,39(6)7)40(8)9)49-44(47-36-33-30-27-24-21-18-15-12-3)43(42)46-35-32-29-26-23-20-17-14-11-2/h10-12,38-44H,1-3,13-37H2,4-9H3/t41-,42-,43-,44-/m1/s1.
What are the key properties of tri(propan-2-yl)-[[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxy]silane?
tri(propan-2-yl)-[[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxy]silane has a molecular weight of 721.24 g/mol, XLogP of 13.44, 36 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxy]silane is sourced from PubChem (CID 150306604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).