[cyclohexyl-(4-fluorocyclohex-3-en-1-yl)methoxy]-triethylsilane

C19H35FOSi — CID 131747135

IUPAC[cyclohexyl-(4-fluorocyclohex-3-en-1-yl)methoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(C1CC=C(F)CC1)C1CCCCC1
InChIInChI=1S/C19H35FOSi/c1-4-22(5-2,6-3)21-19(16-10-8-7-9-11-16)17-12-14-18(20)15-13-17/h14,16-17,19H,4-13,15H2,1-3H3
InChIKeyNKYDBCPMZFHYPY-UHFFFAOYSA-N
MW326.57 g/mol
LogP6.61
Rot. Bonds7

About [cyclohexyl-(4-fluorocyclohex-3-en-1-yl)methoxy]-triethylsilane

[cyclohexyl-(4-fluorocyclohex-3-en-1-yl)methoxy]-triethylsilane (PubChem CID 131747135) has the molecular formula C19H35FOSi and a molecular weight of 326.57 g/mol. Its IUPAC name is [cyclohexyl-(4-fluorocyclohex-3-en-1-yl)methoxy]-triethylsilane.

Molecular Properties

Compound Name[cyclohexyl-(4-fluorocyclohex-3-en-1-yl)methoxy]-triethylsilane
PubChem CID131747135
Molecular FormulaC19H35FOSi
Molecular Weight326.57 g/mol
Exact Mass326.24
IUPAC Name[cyclohexyl-(4-fluorocyclohex-3-en-1-yl)methoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(C1CC=C(F)CC1)C1CCCCC1
InChIInChI=1S/C19H35FOSi/c1-4-22(5-2,6-3)21-19(16-10-8-7-9-11-16)17-12-14-18(20)15-13-17/h14,16-17,19H,4-13,15H2,1-3H3
InChIKeyNKYDBCPMZFHYPY-UHFFFAOYSA-N
XLogP6.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [cyclohexyl-(4-fluorocyclohex-3-en-1-yl)methoxy]-triethylsilane?
The IUPAC name of [cyclohexyl-(4-fluorocyclohex-3-en-1-yl)methoxy]-triethylsilane (CID 131747135) is [cyclohexyl-(4-fluorocyclohex-3-en-1-yl)methoxy]-triethylsilane.
What is the SMILES notation for [cyclohexyl-(4-fluorocyclohex-3-en-1-yl)methoxy]-triethylsilane?
The canonical SMILES for [cyclohexyl-(4-fluorocyclohex-3-en-1-yl)methoxy]-triethylsilane is CC[Si](CC)(CC)OC(C1CC=C(F)CC1)C1CCCCC1.
What is the InChIKey of [cyclohexyl-(4-fluorocyclohex-3-en-1-yl)methoxy]-triethylsilane?
The InChIKey is NKYDBCPMZFHYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35FOSi/c1-4-22(5-2,6-3)21-19(16-10-8-7-9-11-16)17-12-14-18(20)15-13-17/h14,16-17,19H,4-13,15H2,1-3H3.
What are the key properties of [cyclohexyl-(4-fluorocyclohex-3-en-1-yl)methoxy]-triethylsilane?
[cyclohexyl-(4-fluorocyclohex-3-en-1-yl)methoxy]-triethylsilane has a molecular weight of 326.57 g/mol, XLogP of 6.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl-(4-fluorocyclohex-3-en-1-yl)methoxy]-triethylsilane is sourced from PubChem (CID 131747135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).