2,4-dimethylpentan-3-yloxy-ethenyl-heptoxy-methylsilane

C17H36O2Si — CID 91739060

IUPAC2,4-dimethylpentan-3-yloxy-ethenyl-heptoxy-methylsilane
SMILESC=C[Si](C)(OCCCCCCC)OC(C(C)C)C(C)C
InChIInChI=1S/C17H36O2Si/c1-8-10-11-12-13-14-18-20(7,9-2)19-17(15(3)4)16(5)6/h9,15-17H,2,8,10-14H2,1,3-7H3
InChIKeyZAWNZSWLIMDQBS-UHFFFAOYSA-N
MW300.56 g/mol
LogP5.47
Rot. Bonds12

About 2,4-dimethylpentan-3-yloxy-ethenyl-heptoxy-methylsilane

2,4-dimethylpentan-3-yloxy-ethenyl-heptoxy-methylsilane (PubChem CID 91739060) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yloxy-ethenyl-heptoxy-methylsilane.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yloxy-ethenyl-heptoxy-methylsilane
PubChem CID91739060
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name2,4-dimethylpentan-3-yloxy-ethenyl-heptoxy-methylsilane
SMILESC=C[Si](C)(OCCCCCCC)OC(C(C)C)C(C)C
InChIInChI=1S/C17H36O2Si/c1-8-10-11-12-13-14-18-20(7,9-2)19-17(15(3)4)16(5)6/h9,15-17H,2,8,10-14H2,1,3-7H3
InChIKeyZAWNZSWLIMDQBS-UHFFFAOYSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.47
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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Related Compounds

2,4-dimethylpentan-3-yloxy-ethenyl-(ethenyl-methyl-nonoxysilyl)oxy-methylsilane
CID 91741576
2,4-dimethylpentan-3-yloxy-(dodecoxy-ethenyl-methylsilyl)oxy-ethenyl-methylsilane
CID 91743254
2,4-dimethylpentan-3-yloxy-ethenyl-methyl-propoxysilane
CID 91733087
ethenyl-hexoxy-methyl-(2-methylpentan-3-yloxy)silane
CID 91736537
ethenyl-heptadecoxy-methyl-pentan-2-yloxysilane
CID 91744084
ethenyl-methyl-pentan-2-yloxy-tridecoxysilane
CID 91742131
decoxy-ethenyl-methyl-nonoxysilane
CID 91743696
dodecoxy-ethenyl-methyl-pentadecoxysilane
CID 91745623
ethenyl-heptoxy-methyl-tridecoxysilane
CID 91744074
dodecoxy-ethenyl-methyl-undecoxysilane
CID 91744966
ethenyl-heptoxy-hexadecoxy-methylsilane
CID 91744965
ethenyl-heptoxy-methyl-tetradecoxysilane
CID 91744411

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yloxy-ethenyl-heptoxy-methylsilane?
The IUPAC name of 2,4-dimethylpentan-3-yloxy-ethenyl-heptoxy-methylsilane (CID 91739060) is 2,4-dimethylpentan-3-yloxy-ethenyl-heptoxy-methylsilane.
What is the SMILES notation for 2,4-dimethylpentan-3-yloxy-ethenyl-heptoxy-methylsilane?
The canonical SMILES for 2,4-dimethylpentan-3-yloxy-ethenyl-heptoxy-methylsilane is C=C[Si](C)(OCCCCCCC)OC(C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yloxy-ethenyl-heptoxy-methylsilane?
The InChIKey is ZAWNZSWLIMDQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-8-10-11-12-13-14-18-20(7,9-2)19-17(15(3)4)16(5)6/h9,15-17H,2,8,10-14H2,1,3-7H3.
What are the key properties of 2,4-dimethylpentan-3-yloxy-ethenyl-heptoxy-methylsilane?
2,4-dimethylpentan-3-yloxy-ethenyl-heptoxy-methylsilane has a molecular weight of 300.56 g/mol, XLogP of 5.47, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yloxy-ethenyl-heptoxy-methylsilane is sourced from PubChem (CID 91739060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).