4-fluorohepta-1,6-dien-4-yloxy-dimethyl-prop-2-enylsilane

C12H21FOSi — CID 140747064

IUPAC4-fluorohepta-1,6-dien-4-yloxy-dimethyl-prop-2-enylsilane
SMILESC=CCC(F)(CC=C)O[Si](C)(C)CC=C
InChIInChI=1S/C12H21FOSi/c1-6-9-12(13,10-7-2)14-15(4,5)11-8-3/h6-8H,1-3,9-11H2,4-5H3
InChIKeyRGJSAHRWUDYURA-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.21
Rot. Bonds8

About 4-fluorohepta-1,6-dien-4-yloxy-dimethyl-prop-2-enylsilane

4-fluorohepta-1,6-dien-4-yloxy-dimethyl-prop-2-enylsilane (PubChem CID 140747064) has the molecular formula C12H21FOSi and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-fluorohepta-1,6-dien-4-yloxy-dimethyl-prop-2-enylsilane.

Molecular Properties

Compound Name4-fluorohepta-1,6-dien-4-yloxy-dimethyl-prop-2-enylsilane
PubChem CID140747064
Molecular FormulaC12H21FOSi
Molecular Weight228.38 g/mol
Exact Mass228.13
IUPAC Name4-fluorohepta-1,6-dien-4-yloxy-dimethyl-prop-2-enylsilane
SMILESC=CCC(F)(CC=C)O[Si](C)(C)CC=C
InChIInChI=1S/C12H21FOSi/c1-6-9-12(13,10-7-2)14-15(4,5)11-8-3/h6-8H,1-3,9-11H2,4-5H3
InChIKeyRGJSAHRWUDYURA-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-fluorohepta-1,6-dien-4-yloxy-dimethyl-prop-2-enylsilane?
The IUPAC name of 4-fluorohepta-1,6-dien-4-yloxy-dimethyl-prop-2-enylsilane (CID 140747064) is 4-fluorohepta-1,6-dien-4-yloxy-dimethyl-prop-2-enylsilane.
What is the SMILES notation for 4-fluorohepta-1,6-dien-4-yloxy-dimethyl-prop-2-enylsilane?
The canonical SMILES for 4-fluorohepta-1,6-dien-4-yloxy-dimethyl-prop-2-enylsilane is C=CCC(F)(CC=C)O[Si](C)(C)CC=C.
What is the InChIKey of 4-fluorohepta-1,6-dien-4-yloxy-dimethyl-prop-2-enylsilane?
The InChIKey is RGJSAHRWUDYURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FOSi/c1-6-9-12(13,10-7-2)14-15(4,5)11-8-3/h6-8H,1-3,9-11H2,4-5H3.
What are the key properties of 4-fluorohepta-1,6-dien-4-yloxy-dimethyl-prop-2-enylsilane?
4-fluorohepta-1,6-dien-4-yloxy-dimethyl-prop-2-enylsilane has a molecular weight of 228.38 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorohepta-1,6-dien-4-yloxy-dimethyl-prop-2-enylsilane is sourced from PubChem (CID 140747064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).