[4-(silylmethyl)phenyl] 4-(4-methylcyclohexyl)benzoate

C21H26O2Si — CID 123393193

IUPAC[4-(silylmethyl)phenyl] 4-(4-methylcyclohexyl)benzoate
SMILESCC1CCC(c2ccc(C(=O)Oc3ccc(C[SiH3])cc3)cc2)CC1
InChIInChI=1S/C21H26O2Si/c1-15-2-6-17(7-3-15)18-8-10-19(11-9-18)21(22)23-20-12-4-16(14-24)5-13-20/h4-5,8-13,15,17H,2-3,6-7,14H2,1,24H3
InChIKeyMZEWBVOEVCFCGV-UHFFFAOYSA-N
MW338.52 g/mol
LogP4.06
Rot. Bonds4

About [4-(silylmethyl)phenyl] 4-(4-methylcyclohexyl)benzoate

[4-(silylmethyl)phenyl] 4-(4-methylcyclohexyl)benzoate (PubChem CID 123393193) has the molecular formula C21H26O2Si and a molecular weight of 338.52 g/mol. Its IUPAC name is [4-(silylmethyl)phenyl] 4-(4-methylcyclohexyl)benzoate.

Molecular Properties

Compound Name[4-(silylmethyl)phenyl] 4-(4-methylcyclohexyl)benzoate
PubChem CID123393193
Molecular FormulaC21H26O2Si
Molecular Weight338.52 g/mol
Exact Mass338.17
IUPAC Name[4-(silylmethyl)phenyl] 4-(4-methylcyclohexyl)benzoate
SMILESCC1CCC(c2ccc(C(=O)Oc3ccc(C[SiH3])cc3)cc2)CC1
InChIInChI=1S/C21H26O2Si/c1-15-2-6-17(7-3-15)18-8-10-19(11-9-18)21(22)23-20-12-4-16(14-24)5-13-20/h4-5,8-13,15,17H,2-3,6-7,14H2,1,24H3
InChIKeyMZEWBVOEVCFCGV-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(silylmethyl)phenyl] 4-(4-methylcyclohexyl)benzoate?
The IUPAC name of [4-(silylmethyl)phenyl] 4-(4-methylcyclohexyl)benzoate (CID 123393193) is [4-(silylmethyl)phenyl] 4-(4-methylcyclohexyl)benzoate.
What is the SMILES notation for [4-(silylmethyl)phenyl] 4-(4-methylcyclohexyl)benzoate?
The canonical SMILES for [4-(silylmethyl)phenyl] 4-(4-methylcyclohexyl)benzoate is CC1CCC(c2ccc(C(=O)Oc3ccc(C[SiH3])cc3)cc2)CC1.
What is the InChIKey of [4-(silylmethyl)phenyl] 4-(4-methylcyclohexyl)benzoate?
The InChIKey is MZEWBVOEVCFCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2Si/c1-15-2-6-17(7-3-15)18-8-10-19(11-9-18)21(22)23-20-12-4-16(14-24)5-13-20/h4-5,8-13,15,17H,2-3,6-7,14H2,1,24H3.
What are the key properties of [4-(silylmethyl)phenyl] 4-(4-methylcyclohexyl)benzoate?
[4-(silylmethyl)phenyl] 4-(4-methylcyclohexyl)benzoate has a molecular weight of 338.52 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(silylmethyl)phenyl] 4-(4-methylcyclohexyl)benzoate is sourced from PubChem (CID 123393193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).