2,4-dimethylpentan-3-yloxy-(dodecoxy-ethenyl-methylsilyl)oxy-ethenyl-methylsilane

C25H52O3Si2 — CID 91743254

IUPAC2,4-dimethylpentan-3-yloxy-(dodecoxy-ethenyl-methylsilyl)oxy-ethenyl-methylsilane
SMILESC=C[Si](C)(OCCCCCCCCCCCC)O[Si](C)(C=C)OC(C(C)C)C(C)C
InChIInChI=1S/C25H52O3Si2/c1-10-13-14-15-16-17-18-19-20-21-22-26-29(8,11-2)28-30(9,12-3)27-25(23(4)5)24(6)7/h11-12,23-25H,2-3,10,13-22H2,1,4-9H3
InChIKeyMLLFICPRTISZRN-UHFFFAOYSA-N
MW456.86 g/mol
LogP8.23
Rot. Bonds20

About 2,4-dimethylpentan-3-yloxy-(dodecoxy-ethenyl-methylsilyl)oxy-ethenyl-methylsilane

2,4-dimethylpentan-3-yloxy-(dodecoxy-ethenyl-methylsilyl)oxy-ethenyl-methylsilane (PubChem CID 91743254) has the molecular formula C25H52O3Si2 and a molecular weight of 456.86 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yloxy-(dodecoxy-ethenyl-methylsilyl)oxy-ethenyl-methylsilane.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yloxy-(dodecoxy-ethenyl-methylsilyl)oxy-ethenyl-methylsilane
PubChem CID91743254
Molecular FormulaC25H52O3Si2
Molecular Weight456.86 g/mol
Exact Mass456.35
IUPAC Name2,4-dimethylpentan-3-yloxy-(dodecoxy-ethenyl-methylsilyl)oxy-ethenyl-methylsilane
SMILESC=C[Si](C)(OCCCCCCCCCCCC)O[Si](C)(C=C)OC(C(C)C)C(C)C
InChIInChI=1S/C25H52O3Si2/c1-10-13-14-15-16-17-18-19-20-21-22-26-29(8,11-2)28-30(9,12-3)27-25(23(4)5)24(6)7/h11-12,23-25H,2-3,10,13-22H2,1,4-9H3
InChIKeyMLLFICPRTISZRN-UHFFFAOYSA-N
XLogP8.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.86
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2,4-dimethylpentan-3-yloxy-ethenyl-(ethenyl-methyl-nonoxysilyl)oxy-methylsilane
CID 91741576
2,4-dimethylpentan-3-yloxy-ethenyl-heptoxy-methylsilane
CID 91739060
dodecoxy-ethenyl-methyl-undecoxysilane
CID 91744966
ethenyl-heptoxy-hexadecoxy-methylsilane
CID 91744965
ethenyl-heptoxy-methyl-tridecoxysilane
CID 91744074
dodecoxy-ethenyl-methyl-pentadecoxysilane
CID 91745623
decoxy-ethenyl-methyl-nonoxysilane
CID 91743696
ethenyl-heptoxy-methyl-tetradecoxysilane
CID 91744411
butoxy-dodecoxy-ethenyl-methylsilane
CID 91742140
ethenyl-methyl-dipentoxysilane
CID 71381989
ethenyl-(ethenyl-heptoxy-methylsilyl)oxy-methyl-octan-4-yloxysilane
CID 91740164
2,4-dimethylpentan-3-yloxy-ethenyl-methyl-propoxysilane
CID 91733087

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yloxy-(dodecoxy-ethenyl-methylsilyl)oxy-ethenyl-methylsilane?
The IUPAC name of 2,4-dimethylpentan-3-yloxy-(dodecoxy-ethenyl-methylsilyl)oxy-ethenyl-methylsilane (CID 91743254) is 2,4-dimethylpentan-3-yloxy-(dodecoxy-ethenyl-methylsilyl)oxy-ethenyl-methylsilane.
What is the SMILES notation for 2,4-dimethylpentan-3-yloxy-(dodecoxy-ethenyl-methylsilyl)oxy-ethenyl-methylsilane?
The canonical SMILES for 2,4-dimethylpentan-3-yloxy-(dodecoxy-ethenyl-methylsilyl)oxy-ethenyl-methylsilane is C=C[Si](C)(OCCCCCCCCCCCC)O[Si](C)(C=C)OC(C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yloxy-(dodecoxy-ethenyl-methylsilyl)oxy-ethenyl-methylsilane?
The InChIKey is MLLFICPRTISZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O3Si2/c1-10-13-14-15-16-17-18-19-20-21-22-26-29(8,11-2)28-30(9,12-3)27-25(23(4)5)24(6)7/h11-12,23-25H,2-3,10,13-22H2,1,4-9H3.
What are the key properties of 2,4-dimethylpentan-3-yloxy-(dodecoxy-ethenyl-methylsilyl)oxy-ethenyl-methylsilane?
2,4-dimethylpentan-3-yloxy-(dodecoxy-ethenyl-methylsilyl)oxy-ethenyl-methylsilane has a molecular weight of 456.86 g/mol, XLogP of 8.23, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yloxy-(dodecoxy-ethenyl-methylsilyl)oxy-ethenyl-methylsilane is sourced from PubChem (CID 91743254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).