triethoxy(2-fluorohepta-1,6-dien-4-yl)silane

C13H25FO3Si — CID 20760658

IUPACtriethoxy(2-fluorohepta-1,6-dien-4-yl)silane
SMILESC=CCC(CC(=C)F)[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H25FO3Si/c1-6-10-13(11-12(5)14)18(15-7-2,16-8-3)17-9-4/h6,13H,1,5,7-11H2,2-4H3
InChIKeyKMOLVRSXTRDYPL-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.85
Rot. Bonds11

About triethoxy(2-fluorohepta-1,6-dien-4-yl)silane

triethoxy(2-fluorohepta-1,6-dien-4-yl)silane (PubChem CID 20760658) has the molecular formula C13H25FO3Si and a molecular weight of 276.42 g/mol. Its IUPAC name is triethoxy(2-fluorohepta-1,6-dien-4-yl)silane.

Molecular Properties

Compound Nametriethoxy(2-fluorohepta-1,6-dien-4-yl)silane
PubChem CID20760658
Molecular FormulaC13H25FO3Si
Molecular Weight276.42 g/mol
Exact Mass276.16
IUPAC Nametriethoxy(2-fluorohepta-1,6-dien-4-yl)silane
SMILESC=CCC(CC(=C)F)[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H25FO3Si/c1-6-10-13(11-12(5)14)18(15-7-2,16-8-3)17-9-4/h6,13H,1,5,7-11H2,2-4H3
InChIKeyKMOLVRSXTRDYPL-UHFFFAOYSA-N
XLogP3.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.85
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(2-fluorohepta-1,6-dien-4-yl)silane?
The IUPAC name of triethoxy(2-fluorohepta-1,6-dien-4-yl)silane (CID 20760658) is triethoxy(2-fluorohepta-1,6-dien-4-yl)silane.
What is the SMILES notation for triethoxy(2-fluorohepta-1,6-dien-4-yl)silane?
The canonical SMILES for triethoxy(2-fluorohepta-1,6-dien-4-yl)silane is C=CCC(CC(=C)F)[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy(2-fluorohepta-1,6-dien-4-yl)silane?
The InChIKey is KMOLVRSXTRDYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FO3Si/c1-6-10-13(11-12(5)14)18(15-7-2,16-8-3)17-9-4/h6,13H,1,5,7-11H2,2-4H3.
What are the key properties of triethoxy(2-fluorohepta-1,6-dien-4-yl)silane?
triethoxy(2-fluorohepta-1,6-dien-4-yl)silane has a molecular weight of 276.42 g/mol, XLogP of 3.85, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(2-fluorohepta-1,6-dien-4-yl)silane is sourced from PubChem (CID 20760658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).