tert-butyl-[4-[tert-butyl(dipropoxy)silyl]butyl]-dipropoxysilane

C24H54O4Si2 — CID 87144385

IUPACtert-butyl-[4-[tert-butyl(dipropoxy)silyl]butyl]-dipropoxysilane
SMILESCCCO[Si](CCCC[Si](OCCC)(OCCC)C(C)(C)C)(OCCC)C(C)(C)C
InChIInChI=1S/C24H54O4Si2/c1-11-17-25-29(23(5,6)7,26-18-12-2)21-15-16-22-30(24(8,9)10,27-19-13-3)28-20-14-4/h11-22H2,1-10H3
InChIKeyXTBBQQMHJBVSFV-UHFFFAOYSA-N
MW462.86 g/mol
LogP7.96
Rot. Bonds17

About tert-butyl-[4-[tert-butyl(dipropoxy)silyl]butyl]-dipropoxysilane

tert-butyl-[4-[tert-butyl(dipropoxy)silyl]butyl]-dipropoxysilane (PubChem CID 87144385) has the molecular formula C24H54O4Si2 and a molecular weight of 462.86 g/mol. Its IUPAC name is tert-butyl-[4-[tert-butyl(dipropoxy)silyl]butyl]-dipropoxysilane.

Molecular Properties

Compound Nametert-butyl-[4-[tert-butyl(dipropoxy)silyl]butyl]-dipropoxysilane
PubChem CID87144385
Molecular FormulaC24H54O4Si2
Molecular Weight462.86 g/mol
Exact Mass462.36
IUPAC Nametert-butyl-[4-[tert-butyl(dipropoxy)silyl]butyl]-dipropoxysilane
SMILESCCCO[Si](CCCC[Si](OCCC)(OCCC)C(C)(C)C)(OCCC)C(C)(C)C
InChIInChI=1S/C24H54O4Si2/c1-11-17-25-29(23(5,6)7,26-18-12-2)21-15-16-22-30(24(8,9)10,27-19-13-3)28-20-14-4/h11-22H2,1-10H3
InChIKeyXTBBQQMHJBVSFV-UHFFFAOYSA-N
XLogP7.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.86
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

tert-butyl-dimethoxy-tridecylsilane
CID 18990666
tritert-butyl(propoxy)silane
CID 87144875
tert-butyl-ethoxy-heptyl-methoxysilane
CID 18990691
tert-butyl-ethoxy-heptadecyl-methoxysilane
CID 18990695
hexadecyl(tripropoxy)silane
CID 22228651
icosyl(tripropoxy)silane
CID 141079291
4-tripropoxysilylbutan-1-amine
CID 15986561
4-tripropoxysilylbutan-1-ol
CID 18780457
tert-butyl-dimethoxy-propoxysilane
CID 139714542
trihexadecyl(propoxy)silane
CID 172579393
decyl-methyl-dipropoxysilane
CID 22228658
hexadecyl-methyl-dipropoxysilane
CID 22228671

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[tert-butyl(dipropoxy)silyl]butyl]-dipropoxysilane?
The IUPAC name of tert-butyl-[4-[tert-butyl(dipropoxy)silyl]butyl]-dipropoxysilane (CID 87144385) is tert-butyl-[4-[tert-butyl(dipropoxy)silyl]butyl]-dipropoxysilane.
What is the SMILES notation for tert-butyl-[4-[tert-butyl(dipropoxy)silyl]butyl]-dipropoxysilane?
The canonical SMILES for tert-butyl-[4-[tert-butyl(dipropoxy)silyl]butyl]-dipropoxysilane is CCCO[Si](CCCC[Si](OCCC)(OCCC)C(C)(C)C)(OCCC)C(C)(C)C.
What is the InChIKey of tert-butyl-[4-[tert-butyl(dipropoxy)silyl]butyl]-dipropoxysilane?
The InChIKey is XTBBQQMHJBVSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54O4Si2/c1-11-17-25-29(23(5,6)7,26-18-12-2)21-15-16-22-30(24(8,9)10,27-19-13-3)28-20-14-4/h11-22H2,1-10H3.
What are the key properties of tert-butyl-[4-[tert-butyl(dipropoxy)silyl]butyl]-dipropoxysilane?
tert-butyl-[4-[tert-butyl(dipropoxy)silyl]butyl]-dipropoxysilane has a molecular weight of 462.86 g/mol, XLogP of 7.96, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[tert-butyl(dipropoxy)silyl]butyl]-dipropoxysilane is sourced from PubChem (CID 87144385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).