triethoxy(4-methylidenehexyl)silane

C13H28O3Si — CID 87112379

IUPACtriethoxy(4-methylidenehexyl)silane
SMILESC=C(CC)CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H28O3Si/c1-6-13(5)11-10-12-17(14-7-2,15-8-3)16-9-4/h5-12H2,1-4H3
InChIKeyGCZQRQNNGCWOKZ-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.78
Rot. Bonds11

About triethoxy(4-methylidenehexyl)silane

triethoxy(4-methylidenehexyl)silane (PubChem CID 87112379) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is triethoxy(4-methylidenehexyl)silane.

Molecular Properties

Compound Nametriethoxy(4-methylidenehexyl)silane
PubChem CID87112379
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Nametriethoxy(4-methylidenehexyl)silane
SMILESC=C(CC)CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H28O3Si/c1-6-13(5)11-10-12-17(14-7-2,15-8-3)16-9-4/h5-12H2,1-4H3
InChIKeyGCZQRQNNGCWOKZ-UHFFFAOYSA-N
XLogP3.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 triethoxy(4-methylidenehexyl)silane?
The IUPAC name of triethoxy(4-methylidenehexyl)silane (CID 87112379) is triethoxy(4-methylidenehexyl)silane.
What is the SMILES notation for triethoxy(4-methylidenehexyl)silane?
The canonical SMILES for triethoxy(4-methylidenehexyl)silane is C=C(CC)CCC[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy(4-methylidenehexyl)silane?
The InChIKey is GCZQRQNNGCWOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-6-13(5)11-10-12-17(14-7-2,15-8-3)16-9-4/h5-12H2,1-4H3.
What are the key properties of triethoxy(4-methylidenehexyl)silane?
triethoxy(4-methylidenehexyl)silane has a molecular weight of 260.45 g/mol, XLogP of 3.78, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(4-methylidenehexyl)silane is sourced from PubChem (CID 87112379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).