ethyl-(4-fluorophenyl)-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane

C19H31FOSi — CID 593339

IUPACethyl-(4-fluorophenyl)-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane
SMILESCC[Si](C)(OC1CC(C)CCC1C(C)C)c1ccc(F)cc1
InChIInChI=1S/C19H31FOSi/c1-6-22(5,17-10-8-16(20)9-11-17)21-19-13-15(4)7-12-18(19)14(2)3/h8-11,14-15,18-19H,6-7,12-13H2,1-5H3
InChIKeyTUDANWVKKCRNDY-UHFFFAOYSA-N
MW322.54 g/mol
LogP5.11
Rot. Bonds5

About ethyl-(4-fluorophenyl)-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane

ethyl-(4-fluorophenyl)-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane (PubChem CID 593339) has the molecular formula C19H31FOSi and a molecular weight of 322.54 g/mol. Its IUPAC name is ethyl-(4-fluorophenyl)-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane.

Molecular Properties

Compound Nameethyl-(4-fluorophenyl)-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane
PubChem CID593339
Molecular FormulaC19H31FOSi
Molecular Weight322.54 g/mol
Exact Mass322.21
IUPAC Nameethyl-(4-fluorophenyl)-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane
SMILESCC[Si](C)(OC1CC(C)CCC1C(C)C)c1ccc(F)cc1
InChIInChI=1S/C19H31FOSi/c1-6-22(5,17-10-8-16(20)9-11-17)21-19-13-15(4)7-12-18(19)14(2)3/h8-11,14-15,18-19H,6-7,12-13H2,1-5H3
InChIKeyTUDANWVKKCRNDY-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane
CID 586507
methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenyl-prop-2-enylsilane
CID 102005829
CID 136740321
CID 136740321
methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane
CID 101270451
trimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxysilane
CID 11138915
fluoro-dimethyl-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]silane
CID 10988606
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 63462584
cyclopentyl-dimethoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane
CID 54103805
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyfuran
CID 71368513

Frequently Asked Questions

What is the IUPAC name of ethyl-(4-fluorophenyl)-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane?
The IUPAC name of ethyl-(4-fluorophenyl)-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane (CID 593339) is ethyl-(4-fluorophenyl)-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane.
What is the SMILES notation for ethyl-(4-fluorophenyl)-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane?
The canonical SMILES for ethyl-(4-fluorophenyl)-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane is CC[Si](C)(OC1CC(C)CCC1C(C)C)c1ccc(F)cc1.
What is the InChIKey of ethyl-(4-fluorophenyl)-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane?
The InChIKey is TUDANWVKKCRNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FOSi/c1-6-22(5,17-10-8-16(20)9-11-17)21-19-13-15(4)7-12-18(19)14(2)3/h8-11,14-15,18-19H,6-7,12-13H2,1-5H3.
What are the key properties of ethyl-(4-fluorophenyl)-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane?
ethyl-(4-fluorophenyl)-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane has a molecular weight of 322.54 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(4-fluorophenyl)-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane is sourced from PubChem (CID 593339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).