[(E)-7-chloro-5-(4-fluorophenyl)-2-methylhept-5-en-2-yl]-hydroxy-dimethylsilane

C16H24ClFOSi — CID 67991543

IUPAC[(E)-7-chloro-5-(4-fluorophenyl)-2-methylhept-5-en-2-yl]-hydroxy-dimethylsilane
SMILESCC(C)(CC/C(=C\CCl)c1ccc(F)cc1)[Si](C)(C)O
InChIInChI=1S/C16H24ClFOSi/c1-16(2,20(3,4)19)11-9-14(10-12-17)13-5-7-15(18)8-6-13/h5-8,10,19H,9,11-12H2,1-4H3/b14-10+
InChIKeyHPQOWDDUKXDROO-GXDHUFHOSA-N
MW314.90 g/mol
LogP5.21
Rot. Bonds6

About [(E)-7-chloro-5-(4-fluorophenyl)-2-methylhept-5-en-2-yl]-hydroxy-dimethylsilane

[(E)-7-chloro-5-(4-fluorophenyl)-2-methylhept-5-en-2-yl]-hydroxy-dimethylsilane (PubChem CID 67991543) has the molecular formula C16H24ClFOSi and a molecular weight of 314.90 g/mol. Its IUPAC name is [(E)-7-chloro-5-(4-fluorophenyl)-2-methylhept-5-en-2-yl]-hydroxy-dimethylsilane.

Molecular Properties

Compound Name[(E)-7-chloro-5-(4-fluorophenyl)-2-methylhept-5-en-2-yl]-hydroxy-dimethylsilane
PubChem CID67991543
Molecular FormulaC16H24ClFOSi
Molecular Weight314.90 g/mol
Exact Mass314.13
IUPAC Name[(E)-7-chloro-5-(4-fluorophenyl)-2-methylhept-5-en-2-yl]-hydroxy-dimethylsilane
SMILESCC(C)(CC/C(=C\CCl)c1ccc(F)cc1)[Si](C)(C)O
InChIInChI=1S/C16H24ClFOSi/c1-16(2,20(3,4)19)11-9-14(10-12-17)13-5-7-15(18)8-6-13/h5-8,10,19H,9,11-12H2,1-4H3/b14-10+
InChIKeyHPQOWDDUKXDROO-GXDHUFHOSA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.90
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-7-chloro-5-(4-fluorophenyl)-2-methylhept-5-en-2-yl]-hydroxy-dimethylsilane?
The IUPAC name of [(E)-7-chloro-5-(4-fluorophenyl)-2-methylhept-5-en-2-yl]-hydroxy-dimethylsilane (CID 67991543) is [(E)-7-chloro-5-(4-fluorophenyl)-2-methylhept-5-en-2-yl]-hydroxy-dimethylsilane.
What is the SMILES notation for [(E)-7-chloro-5-(4-fluorophenyl)-2-methylhept-5-en-2-yl]-hydroxy-dimethylsilane?
The canonical SMILES for [(E)-7-chloro-5-(4-fluorophenyl)-2-methylhept-5-en-2-yl]-hydroxy-dimethylsilane is CC(C)(CC/C(=C\CCl)c1ccc(F)cc1)[Si](C)(C)O.
What is the InChIKey of [(E)-7-chloro-5-(4-fluorophenyl)-2-methylhept-5-en-2-yl]-hydroxy-dimethylsilane?
The InChIKey is HPQOWDDUKXDROO-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H24ClFOSi/c1-16(2,20(3,4)19)11-9-14(10-12-17)13-5-7-15(18)8-6-13/h5-8,10,19H,9,11-12H2,1-4H3/b14-10+.
What are the key properties of [(E)-7-chloro-5-(4-fluorophenyl)-2-methylhept-5-en-2-yl]-hydroxy-dimethylsilane?
[(E)-7-chloro-5-(4-fluorophenyl)-2-methylhept-5-en-2-yl]-hydroxy-dimethylsilane has a molecular weight of 314.90 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-7-chloro-5-(4-fluorophenyl)-2-methylhept-5-en-2-yl]-hydroxy-dimethylsilane is sourced from PubChem (CID 67991543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).