triethyl-(5-phenyl-5-undecan-2-yloxypentoxy)silane

C28H52O2Si — CID 102278322

IUPACtriethyl-(5-phenyl-5-undecan-2-yloxypentoxy)silane
SMILESCCCCCCCCCC(C)OC(CCCCO[Si](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C28H52O2Si/c1-6-10-11-12-13-14-16-21-26(5)30-28(27-22-17-15-18-23-27)24-19-20-25-29-31(7-2,8-3)9-4/h15,17-18,22-23,26,28H,6-14,16,19-21,24-25H2,1-5H3
InChIKeyPJIFZLZEMDOFKY-UHFFFAOYSA-N
MW448.81 g/mol
LogP9.47
Rot. Bonds20

About triethyl-(5-phenyl-5-undecan-2-yloxypentoxy)silane

triethyl-(5-phenyl-5-undecan-2-yloxypentoxy)silane (PubChem CID 102278322) has the molecular formula C28H52O2Si and a molecular weight of 448.81 g/mol. Its IUPAC name is triethyl-(5-phenyl-5-undecan-2-yloxypentoxy)silane.

Molecular Properties

Compound Nametriethyl-(5-phenyl-5-undecan-2-yloxypentoxy)silane
PubChem CID102278322
Molecular FormulaC28H52O2Si
Molecular Weight448.81 g/mol
Exact Mass448.37
IUPAC Nametriethyl-(5-phenyl-5-undecan-2-yloxypentoxy)silane
SMILESCCCCCCCCCC(C)OC(CCCCO[Si](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C28H52O2Si/c1-6-10-11-12-13-14-16-21-26(5)30-28(27-22-17-15-18-23-27)24-19-20-25-29-31(7-2,8-3)9-4/h15,17-18,22-23,26,28H,6-14,16,19-21,24-25H2,1-5H3
InChIKeyPJIFZLZEMDOFKY-UHFFFAOYSA-N
XLogP9.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.81
LogP ≤ 59.47
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'}

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Related Compounds

1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
1-decan-2-yloxyethylbenzene
CID 102455455
1-dodecoxyhexylbenzene
CID 174774790
decoxy(triethyl)silane
CID 523468
2-[2-(1-phenylhexoxy)propyl]phenol
CID 67181005
diethyl-(1-phenylpropoxy)-undecoxysilane
CID 91743912
1-ethoxydecylbenzene
CID 71423896
hexan-2-yloxy-octoxy-diphenylsilane
CID 91742037
heptoxy-hexan-2-yloxy-diphenylsilane
CID 91741501
3-methyl-2-octan-2-yloxy-1-phenylbutan-1-amine
CID 43127446
[[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol
CID 140892730
(2-iodo-1-pentan-2-yloxyethyl)benzene
CID 102984475

Frequently Asked Questions

What is the IUPAC name of triethyl-(5-phenyl-5-undecan-2-yloxypentoxy)silane?
The IUPAC name of triethyl-(5-phenyl-5-undecan-2-yloxypentoxy)silane (CID 102278322) is triethyl-(5-phenyl-5-undecan-2-yloxypentoxy)silane.
What is the SMILES notation for triethyl-(5-phenyl-5-undecan-2-yloxypentoxy)silane?
The canonical SMILES for triethyl-(5-phenyl-5-undecan-2-yloxypentoxy)silane is CCCCCCCCCC(C)OC(CCCCO[Si](CC)(CC)CC)c1ccccc1.
What is the InChIKey of triethyl-(5-phenyl-5-undecan-2-yloxypentoxy)silane?
The InChIKey is PJIFZLZEMDOFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52O2Si/c1-6-10-11-12-13-14-16-21-26(5)30-28(27-22-17-15-18-23-27)24-19-20-25-29-31(7-2,8-3)9-4/h15,17-18,22-23,26,28H,6-14,16,19-21,24-25H2,1-5H3.
What are the key properties of triethyl-(5-phenyl-5-undecan-2-yloxypentoxy)silane?
triethyl-(5-phenyl-5-undecan-2-yloxypentoxy)silane has a molecular weight of 448.81 g/mol, XLogP of 9.47, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(5-phenyl-5-undecan-2-yloxypentoxy)silane is sourced from PubChem (CID 102278322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).