3-[(Z)-1-[dimethyl(phenyl)silyl]hex-1-en-2-yl]cyclohexan-1-one

C20H30OSi — CID 12576177

IUPAC3-[(Z)-1-[dimethyl(phenyl)silyl]hex-1-en-2-yl]cyclohexan-1-one
SMILESCCCC/C(=C/[Si](C)(C)c1ccccc1)C1CCCC(=O)C1
InChIInChI=1S/C20H30OSi/c1-4-5-10-18(17-11-9-12-19(21)15-17)16-22(2,3)20-13-7-6-8-14-20/h6-8,13-14,16-17H,4-5,9-12,15H2,1-3H3/b18-16-
InChIKeyFTQCUFXQRBHHFZ-VLGSPTGOSA-N
MW314.55 g/mol
LogP5.02
Rot. Bonds6

About 3-[(Z)-1-[dimethyl(phenyl)silyl]hex-1-en-2-yl]cyclohexan-1-one

3-[(Z)-1-[dimethyl(phenyl)silyl]hex-1-en-2-yl]cyclohexan-1-one (PubChem CID 12576177) has the molecular formula C20H30OSi and a molecular weight of 314.55 g/mol. Its IUPAC name is 3-[(Z)-1-[dimethyl(phenyl)silyl]hex-1-en-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[(Z)-1-[dimethyl(phenyl)silyl]hex-1-en-2-yl]cyclohexan-1-one
PubChem CID12576177
Molecular FormulaC20H30OSi
Molecular Weight314.55 g/mol
Exact Mass314.21
IUPAC Name3-[(Z)-1-[dimethyl(phenyl)silyl]hex-1-en-2-yl]cyclohexan-1-one
SMILESCCCC/C(=C/[Si](C)(C)c1ccccc1)C1CCCC(=O)C1
InChIInChI=1S/C20H30OSi/c1-4-5-10-18(17-11-9-12-19(21)15-17)16-22(2,3)20-13-7-6-8-14-20/h6-8,13-14,16-17H,4-5,9-12,15H2,1-3H3/b18-16-
InChIKeyFTQCUFXQRBHHFZ-VLGSPTGOSA-N
XLogP5.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 55.02
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

CID 219672
CID 219672
CID 5463905
CID 5463905
CID 69907
CID 69907
CID 273661
CID 273661
CID 78605
CID 78605
CID 33191
CID 33191
CID 219473
CID 219473
CID 95592
CID 95592
CID 21496
CID 21496
CID 26530
CID 26530
CID 98945
CID 98945
CID 88701
CID 88701

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-[dimethyl(phenyl)silyl]hex-1-en-2-yl]cyclohexan-1-one?
The IUPAC name of 3-[(Z)-1-[dimethyl(phenyl)silyl]hex-1-en-2-yl]cyclohexan-1-one (CID 12576177) is 3-[(Z)-1-[dimethyl(phenyl)silyl]hex-1-en-2-yl]cyclohexan-1-one.
What is the SMILES notation for 3-[(Z)-1-[dimethyl(phenyl)silyl]hex-1-en-2-yl]cyclohexan-1-one?
The canonical SMILES for 3-[(Z)-1-[dimethyl(phenyl)silyl]hex-1-en-2-yl]cyclohexan-1-one is CCCC/C(=C/[Si](C)(C)c1ccccc1)C1CCCC(=O)C1.
What is the InChIKey of 3-[(Z)-1-[dimethyl(phenyl)silyl]hex-1-en-2-yl]cyclohexan-1-one?
The InChIKey is FTQCUFXQRBHHFZ-VLGSPTGOSA-N. The full InChI is InChI=1S/C20H30OSi/c1-4-5-10-18(17-11-9-12-19(21)15-17)16-22(2,3)20-13-7-6-8-14-20/h6-8,13-14,16-17H,4-5,9-12,15H2,1-3H3/b18-16-.
What are the key properties of 3-[(Z)-1-[dimethyl(phenyl)silyl]hex-1-en-2-yl]cyclohexan-1-one?
3-[(Z)-1-[dimethyl(phenyl)silyl]hex-1-en-2-yl]cyclohexan-1-one has a molecular weight of 314.55 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-[dimethyl(phenyl)silyl]hex-1-en-2-yl]cyclohexan-1-one is sourced from PubChem (CID 12576177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).