2-[[4-(4,4-difluorocyclohexen-1-yl)-2-methoxyimidazol-1-yl]methoxy]ethyl-trimethylsilane

C16H26F2N2O2Si — CID 156708357

IUPAC2-[[4-(4,4-difluorocyclohexen-1-yl)-2-methoxyimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1nc(C2=CCC(F)(F)CC2)cn1COCC[Si](C)(C)C
InChIInChI=1S/C16H26F2N2O2Si/c1-21-15-19-14(13-5-7-16(17,18)8-6-13)11-20(15)12-22-9-10-23(2,3)4/h5,11H,6-10,12H2,1-4H3
InChIKeyHGVRVDAKXBKVEN-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.41
Rot. Bonds7

About 2-[[4-(4,4-difluorocyclohexen-1-yl)-2-methoxyimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(4,4-difluorocyclohexen-1-yl)-2-methoxyimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 156708357) has the molecular formula C16H26F2N2O2Si and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[[4-(4,4-difluorocyclohexen-1-yl)-2-methoxyimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(4,4-difluorocyclohexen-1-yl)-2-methoxyimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID156708357
Molecular FormulaC16H26F2N2O2Si
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-[[4-(4,4-difluorocyclohexen-1-yl)-2-methoxyimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1nc(C2=CCC(F)(F)CC2)cn1COCC[Si](C)(C)C
InChIInChI=1S/C16H26F2N2O2Si/c1-21-15-19-14(13-5-7-16(17,18)8-6-13)11-20(15)12-22-9-10-23(2,3)4/h5,11H,6-10,12H2,1-4H3
InChIKeyHGVRVDAKXBKVEN-UHFFFAOYSA-N
XLogP4.41
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4,4-difluorocyclohexen-1-yl)-2-methoxyimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(4,4-difluorocyclohexen-1-yl)-2-methoxyimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 156708357) is 2-[[4-(4,4-difluorocyclohexen-1-yl)-2-methoxyimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(4,4-difluorocyclohexen-1-yl)-2-methoxyimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(4,4-difluorocyclohexen-1-yl)-2-methoxyimidazol-1-yl]methoxy]ethyl-trimethylsilane is COc1nc(C2=CCC(F)(F)CC2)cn1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[4-(4,4-difluorocyclohexen-1-yl)-2-methoxyimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is HGVRVDAKXBKVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N2O2Si/c1-21-15-19-14(13-5-7-16(17,18)8-6-13)11-20(15)12-22-9-10-23(2,3)4/h5,11H,6-10,12H2,1-4H3.
What are the key properties of 2-[[4-(4,4-difluorocyclohexen-1-yl)-2-methoxyimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(4,4-difluorocyclohexen-1-yl)-2-methoxyimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 344.48 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4,4-difluorocyclohexen-1-yl)-2-methoxyimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 156708357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).