methyl-tris(2-octa-2,7-dienoxyethoxy)silane

C31H54O6Si — CID 87835703

IUPACmethyl-tris(2-octa-2,7-dienoxyethoxy)silane
SMILESC=CCCCC=CCOCCO[Si](C)(OCCOCC=CCCCC=C)OCCOCC=CCCCC=C
InChIInChI=1S/C31H54O6Si/c1-5-8-11-14-17-20-23-32-26-29-35-38(4,36-30-27-33-24-21-18-15-12-9-6-2)37-31-28-34-25-22-19-16-13-10-7-3/h5-7,17-22H,1-3,8-16,23-31H2,4H3
InChIKeyWQDNCXDRFCDPNN-UHFFFAOYSA-N
MW550.85 g/mol
LogP7.39
Rot. Bonds30

About methyl-tris(2-octa-2,7-dienoxyethoxy)silane

methyl-tris(2-octa-2,7-dienoxyethoxy)silane (PubChem CID 87835703) has the molecular formula C31H54O6Si and a molecular weight of 550.85 g/mol. Its IUPAC name is methyl-tris(2-octa-2,7-dienoxyethoxy)silane.

Molecular Properties

Compound Namemethyl-tris(2-octa-2,7-dienoxyethoxy)silane
PubChem CID87835703
Molecular FormulaC31H54O6Si
Molecular Weight550.85 g/mol
Exact Mass550.37
IUPAC Namemethyl-tris(2-octa-2,7-dienoxyethoxy)silane
SMILESC=CCCCC=CCOCCO[Si](C)(OCCOCC=CCCCC=C)OCCOCC=CCCCC=C
InChIInChI=1S/C31H54O6Si/c1-5-8-11-14-17-20-23-32-26-29-35-38(4,36-30-27-33-24-21-18-15-12-9-6-2)37-31-28-34-25-22-19-16-13-10-7-3/h5-7,17-22H,1-3,8-16,23-31H2,4H3
InChIKeyWQDNCXDRFCDPNN-UHFFFAOYSA-N
XLogP7.39
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.85
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 methyl-tris(2-octa-2,7-dienoxyethoxy)silane?
The IUPAC name of methyl-tris(2-octa-2,7-dienoxyethoxy)silane (CID 87835703) is methyl-tris(2-octa-2,7-dienoxyethoxy)silane.
What is the SMILES notation for methyl-tris(2-octa-2,7-dienoxyethoxy)silane?
The canonical SMILES for methyl-tris(2-octa-2,7-dienoxyethoxy)silane is C=CCCCC=CCOCCO[Si](C)(OCCOCC=CCCCC=C)OCCOCC=CCCCC=C.
What is the InChIKey of methyl-tris(2-octa-2,7-dienoxyethoxy)silane?
The InChIKey is WQDNCXDRFCDPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H54O6Si/c1-5-8-11-14-17-20-23-32-26-29-35-38(4,36-30-27-33-24-21-18-15-12-9-6-2)37-31-28-34-25-22-19-16-13-10-7-3/h5-7,17-22H,1-3,8-16,23-31H2,4H3.
What are the key properties of methyl-tris(2-octa-2,7-dienoxyethoxy)silane?
methyl-tris(2-octa-2,7-dienoxyethoxy)silane has a molecular weight of 550.85 g/mol, XLogP of 7.39, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris(2-octa-2,7-dienoxyethoxy)silane is sourced from PubChem (CID 87835703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).