trimethyl-[2-(4-propoxybutyl)-3-trimethylsilylheptoxy]silane

C20H46O2Si2 — CID 20725102

IUPACtrimethyl-[2-(4-propoxybutyl)-3-trimethylsilylheptoxy]silane
SMILESCCCCC(C(CCCCOCCC)CO[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H46O2Si2/c1-9-11-15-20(23(3,4)5)19(18-22-24(6,7)8)14-12-13-17-21-16-10-2/h19-20H,9-18H2,1-8H3
InChIKeyBBQFGSUBWYNDNJ-UHFFFAOYSA-N
MW374.76 g/mol
LogP6.95
Rot. Bonds15

About trimethyl-[2-(4-propoxybutyl)-3-trimethylsilylheptoxy]silane

trimethyl-[2-(4-propoxybutyl)-3-trimethylsilylheptoxy]silane (PubChem CID 20725102) has the molecular formula C20H46O2Si2 and a molecular weight of 374.76 g/mol. Its IUPAC name is trimethyl-[2-(4-propoxybutyl)-3-trimethylsilylheptoxy]silane.

Molecular Properties

Compound Nametrimethyl-[2-(4-propoxybutyl)-3-trimethylsilylheptoxy]silane
PubChem CID20725102
Molecular FormulaC20H46O2Si2
Molecular Weight374.76 g/mol
Exact Mass374.30
IUPAC Nametrimethyl-[2-(4-propoxybutyl)-3-trimethylsilylheptoxy]silane
SMILESCCCCC(C(CCCCOCCC)CO[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H46O2Si2/c1-9-11-15-20(23(3,4)5)19(18-22-24(6,7)8)14-12-13-17-21-16-10-2/h19-20H,9-18H2,1-8H3
InChIKeyBBQFGSUBWYNDNJ-UHFFFAOYSA-N
XLogP6.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.76
LogP ≤ 56.95
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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(4-propoxybutyl)-3-trimethylsilylheptoxy]silane?
The IUPAC name of trimethyl-[2-(4-propoxybutyl)-3-trimethylsilylheptoxy]silane (CID 20725102) is trimethyl-[2-(4-propoxybutyl)-3-trimethylsilylheptoxy]silane.
What is the SMILES notation for trimethyl-[2-(4-propoxybutyl)-3-trimethylsilylheptoxy]silane?
The canonical SMILES for trimethyl-[2-(4-propoxybutyl)-3-trimethylsilylheptoxy]silane is CCCCC(C(CCCCOCCC)CO[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-(4-propoxybutyl)-3-trimethylsilylheptoxy]silane?
The InChIKey is BBQFGSUBWYNDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46O2Si2/c1-9-11-15-20(23(3,4)5)19(18-22-24(6,7)8)14-12-13-17-21-16-10-2/h19-20H,9-18H2,1-8H3.
What are the key properties of trimethyl-[2-(4-propoxybutyl)-3-trimethylsilylheptoxy]silane?
trimethyl-[2-(4-propoxybutyl)-3-trimethylsilylheptoxy]silane has a molecular weight of 374.76 g/mol, XLogP of 6.95, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(4-propoxybutyl)-3-trimethylsilylheptoxy]silane is sourced from PubChem (CID 20725102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).