(2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]propanoate

C23H30O2Si — CID 102068637

IUPAC(2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]propanoate
SMILESCC(C(=O)OC1CCCCC1c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H30O2Si/c1-18(26(2,3)20-14-8-5-9-15-20)23(24)25-22-17-11-10-16-21(22)19-12-6-4-7-13-19/h4-9,12-15,18,21-22H,10-11,16-17H2,1-3H3
InChIKeyXOJDVCLECOCFOX-UHFFFAOYSA-N
MW366.58 g/mol
LogP5.26
Rot. Bonds5

About (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]propanoate

(2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]propanoate (PubChem CID 102068637) has the molecular formula C23H30O2Si and a molecular weight of 366.58 g/mol. Its IUPAC name is (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]propanoate.

Molecular Properties

Compound Name(2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]propanoate
PubChem CID102068637
Molecular FormulaC23H30O2Si
Molecular Weight366.58 g/mol
Exact Mass366.20
IUPAC Name(2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]propanoate
SMILESCC(C(=O)OC1CCCCC1c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H30O2Si/c1-18(26(2,3)20-14-8-5-9-15-20)23(24)25-22-17-11-10-16-21(22)19-12-6-4-7-13-19/h4-9,12-15,18,21-22H,10-11,16-17H2,1-3H3
InChIKeyXOJDVCLECOCFOX-UHFFFAOYSA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.58
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]acetate
CID 102068633
[(1S)-2-phenylcyclohexyl] acetate
CID 130428408
[(1R,2S)-2-phenylcyclohexyl] carbonochloridate
CID 15691294
[(1S,2R)-2-phenylcyclohexyl] (2S)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate
CID 10406608
[(1R,2S)-2-phenylcyclohexyl] N-[[(1R,2S)-2-phenylcyclohexyl]oxycarbonylamino]carbamate
CID 134883244
(2-phenylcyclohexyl) (2R)-2-hydroxy-4-phenylbut-3-enoate
CID 139636652
(2-phenylcyclohexyl) 2-oxoacetate
CID 13498606
trans-[(1R,2S)-2-phenylcyclohexyl] (1S,2S)-2-tris(trimethylsilyl)silyloxycyclobutane-1-carboxylate
CID 11179951
[(2S)-2-phenylcyclohexyl] 3-phenylprop-2-ynoate
CID 2755291
(2-phenylcyclohexyl) 3-phenylprop-2-ynoate
CID 15189887
[(1R,2S)-2-phenylcyclohexyl] furan-3-carboxylate
CID 139064912
(1R,2R,3R,4R)-2-methyl-4-phenyl-3-[(1S,2R)-2-phenylcyclohexyl]oxycarbonylcyclobutane-1-carboxylic acid
CID 130428279

Frequently Asked Questions

What is the IUPAC name of (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]propanoate?
The IUPAC name of (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]propanoate (CID 102068637) is (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]propanoate.
What is the SMILES notation for (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]propanoate?
The canonical SMILES for (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]propanoate is CC(C(=O)OC1CCCCC1c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]propanoate?
The InChIKey is XOJDVCLECOCFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2Si/c1-18(26(2,3)20-14-8-5-9-15-20)23(24)25-22-17-11-10-16-21(22)19-12-6-4-7-13-19/h4-9,12-15,18,21-22H,10-11,16-17H2,1-3H3.
What are the key properties of (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]propanoate?
(2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]propanoate has a molecular weight of 366.58 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]propanoate is sourced from PubChem (CID 102068637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).