6,6-bis(prop-2-enyl)non-8-enyl-[butyl(dimethyl)silyl]oxy-dimethylsilane

C23H46OSi2 — CID 176610524

IUPAC6,6-bis(prop-2-enyl)non-8-enyl-[butyl(dimethyl)silyl]oxy-dimethylsilane
SMILESC=CCC(CC=C)(CC=C)CCCCC[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C23H46OSi2/c1-9-13-21-25(5,6)24-26(7,8)22-16-14-15-20-23(17-10-2,18-11-3)19-12-4/h10-12H,2-4,9,13-22H2,1,5-8H3
InChIKeyJJRIHIXCQOBWSX-UHFFFAOYSA-N
MW394.79 g/mol
LogP8.49
Rot. Bonds17

About 6,6-bis(prop-2-enyl)non-8-enyl-[butyl(dimethyl)silyl]oxy-dimethylsilane

6,6-bis(prop-2-enyl)non-8-enyl-[butyl(dimethyl)silyl]oxy-dimethylsilane (PubChem CID 176610524) has the molecular formula C23H46OSi2 and a molecular weight of 394.79 g/mol. Its IUPAC name is 6,6-bis(prop-2-enyl)non-8-enyl-[butyl(dimethyl)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Name6,6-bis(prop-2-enyl)non-8-enyl-[butyl(dimethyl)silyl]oxy-dimethylsilane
PubChem CID176610524
Molecular FormulaC23H46OSi2
Molecular Weight394.79 g/mol
Exact Mass394.31
IUPAC Name6,6-bis(prop-2-enyl)non-8-enyl-[butyl(dimethyl)silyl]oxy-dimethylsilane
SMILESC=CCC(CC=C)(CC=C)CCCCC[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C23H46OSi2/c1-9-13-21-25(5,6)24-26(7,8)22-16-14-15-20-23(17-10-2,18-11-3)19-12-4/h10-12H,2-4,9,13-22H2,1,5-8H3
InChIKeyJJRIHIXCQOBWSX-UHFFFAOYSA-N
XLogP8.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.79
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6,6-bis(prop-2-enyl)non-8-enyl-[butyl(dimethyl)silyl]oxy-dimethylsilane?
The IUPAC name of 6,6-bis(prop-2-enyl)non-8-enyl-[butyl(dimethyl)silyl]oxy-dimethylsilane (CID 176610524) is 6,6-bis(prop-2-enyl)non-8-enyl-[butyl(dimethyl)silyl]oxy-dimethylsilane.
What is the SMILES notation for 6,6-bis(prop-2-enyl)non-8-enyl-[butyl(dimethyl)silyl]oxy-dimethylsilane?
The canonical SMILES for 6,6-bis(prop-2-enyl)non-8-enyl-[butyl(dimethyl)silyl]oxy-dimethylsilane is C=CCC(CC=C)(CC=C)CCCCC[Si](C)(C)O[Si](C)(C)CCCC.
What is the InChIKey of 6,6-bis(prop-2-enyl)non-8-enyl-[butyl(dimethyl)silyl]oxy-dimethylsilane?
The InChIKey is JJRIHIXCQOBWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46OSi2/c1-9-13-21-25(5,6)24-26(7,8)22-16-14-15-20-23(17-10-2,18-11-3)19-12-4/h10-12H,2-4,9,13-22H2,1,5-8H3.
What are the key properties of 6,6-bis(prop-2-enyl)non-8-enyl-[butyl(dimethyl)silyl]oxy-dimethylsilane?
6,6-bis(prop-2-enyl)non-8-enyl-[butyl(dimethyl)silyl]oxy-dimethylsilane has a molecular weight of 394.79 g/mol, XLogP of 8.49, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-bis(prop-2-enyl)non-8-enyl-[butyl(dimethyl)silyl]oxy-dimethylsilane is sourced from PubChem (CID 176610524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).