dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane

C25H56O2Si2 — CID 87145187

IUPACdibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane
SMILESCCCC[Si](CCCC)(CCC[Si](CCCC)(CCCC)OCCC)OCCC
InChIInChI=1S/C25H56O2Si2/c1-7-13-20-28(21-14-8-2,26-18-11-5)24-17-25-29(22-15-9-3,23-16-10-4)27-19-12-6/h7-25H2,1-6H3
InChIKeySSAKYQSHGNKSGP-UHFFFAOYSA-N
MW444.89 g/mol
LogP9.32
Rot. Bonds22

About dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane

dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane (PubChem CID 87145187) has the molecular formula C25H56O2Si2 and a molecular weight of 444.89 g/mol. Its IUPAC name is dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane.

Molecular Properties

Compound Namedibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane
PubChem CID87145187
Molecular FormulaC25H56O2Si2
Molecular Weight444.89 g/mol
Exact Mass444.38
IUPAC Namedibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane
SMILESCCCC[Si](CCCC)(CCC[Si](CCCC)(CCCC)OCCC)OCCC
InChIInChI=1S/C25H56O2Si2/c1-7-13-20-28(21-14-8-2,26-18-11-5)24-17-25-29(22-15-9-3,23-16-10-4)27-19-12-6/h7-25H2,1-6H3
InChIKeySSAKYQSHGNKSGP-UHFFFAOYSA-N
XLogP9.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.89
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trihexadecyl(propoxy)silane
CID 172579393
butoxy(tributyl)silane
CID 594608
dibutyl-(iodomethyl)-propoxysilane
CID 23146625
tributyl(decoxy)silane
CID 523467
butoxy-[3-[butoxy(dipropyl)silyl]propyl]-dipropylsilane
CID 87143618
butoxy-dibutyl-ethylsilane
CID 141095554
tributyl(8-tributylsilyloxyoct-4-ynoxy)silane
CID 135048691
heptadecoxy(tripropyl)silane
CID 632797
3-bromopropyl-diethyl-propoxysilane
CID 86116023
ethoxy-[3-[ethoxy(dipropyl)silyl]propyl]-dipropylsilane
CID 87144447
methoxy(trimethyl)silane;propoxy(tripropyl)silane
CID 141486227
butyl-methoxy-dipropoxysilane
CID 18672915

Frequently Asked Questions

What is the IUPAC name of dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane?
The IUPAC name of dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane (CID 87145187) is dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane.
What is the SMILES notation for dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane?
The canonical SMILES for dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane is CCCC[Si](CCCC)(CCC[Si](CCCC)(CCCC)OCCC)OCCC.
What is the InChIKey of dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane?
The InChIKey is SSAKYQSHGNKSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H56O2Si2/c1-7-13-20-28(21-14-8-2,26-18-11-5)24-17-25-29(22-15-9-3,23-16-10-4)27-19-12-6/h7-25H2,1-6H3.
What are the key properties of dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane?
dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane has a molecular weight of 444.89 g/mol, XLogP of 9.32, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane is sourced from PubChem (CID 87145187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).