2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane

C12H21FOSi — CID 171778876

IUPAC2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCC1C=CC(F)=CC1
InChIInChI=1S/C12H21FOSi/c1-15(2,3)9-8-14-10-11-4-6-12(13)7-5-11/h4,6-7,11H,5,8-10H2,1-3H3
InChIKeyXVIKBAIRXRGNAB-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.77
Rot. Bonds5

About 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane

2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 171778876) has the molecular formula C12H21FOSi and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID171778876
Molecular FormulaC12H21FOSi
Molecular Weight228.38 g/mol
Exact Mass228.13
IUPAC Name2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCC1C=CC(F)=CC1
InChIInChI=1S/C12H21FOSi/c1-15(2,3)9-8-14-10-11-4-6-12(13)7-5-11/h4,6-7,11H,5,8-10H2,1-3H3
InChIKeyXVIKBAIRXRGNAB-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane (CID 171778876) is 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCC1C=CC(F)=CC1.
What is the InChIKey of 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is XVIKBAIRXRGNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FOSi/c1-15(2,3)9-8-14-10-11-4-6-12(13)7-5-11/h4,6-7,11H,5,8-10H2,1-3H3.
What are the key properties of 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane?
2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 228.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 171778876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).