4-[4-[butyl(dimethyl)silyl]-2,6-dimethoxyphenyl]cycloheptan-1-ol

C21H36O3Si — CID 175118617

IUPAC4-[4-[butyl(dimethyl)silyl]-2,6-dimethoxyphenyl]cycloheptan-1-ol
SMILESCCCC[Si](C)(C)c1cc(OC)c(C2CCCC(O)CC2)c(OC)c1
InChIInChI=1S/C21H36O3Si/c1-6-7-13-25(4,5)18-14-19(23-2)21(20(15-18)24-3)16-9-8-10-17(22)12-11-16/h14-17,22H,6-13H2,1-5H3
InChIKeyAXEVVTBBUUJQQA-UHFFFAOYSA-N
MW364.60 g/mol
LogP4.83
Rot. Bonds7

About 4-[4-[butyl(dimethyl)silyl]-2,6-dimethoxyphenyl]cycloheptan-1-ol

4-[4-[butyl(dimethyl)silyl]-2,6-dimethoxyphenyl]cycloheptan-1-ol (PubChem CID 175118617) has the molecular formula C21H36O3Si and a molecular weight of 364.60 g/mol. Its IUPAC name is 4-[4-[butyl(dimethyl)silyl]-2,6-dimethoxyphenyl]cycloheptan-1-ol.

Molecular Properties

Compound Name4-[4-[butyl(dimethyl)silyl]-2,6-dimethoxyphenyl]cycloheptan-1-ol
PubChem CID175118617
Molecular FormulaC21H36O3Si
Molecular Weight364.60 g/mol
Exact Mass364.24
IUPAC Name4-[4-[butyl(dimethyl)silyl]-2,6-dimethoxyphenyl]cycloheptan-1-ol
SMILESCCCC[Si](C)(C)c1cc(OC)c(C2CCCC(O)CC2)c(OC)c1
InChIInChI=1S/C21H36O3Si/c1-6-7-13-25(4,5)18-14-19(23-2)21(20(15-18)24-3)16-9-8-10-17(22)12-11-16/h14-17,22H,6-13H2,1-5H3
InChIKeyAXEVVTBBUUJQQA-UHFFFAOYSA-N
XLogP4.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.60
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[butyl(dimethyl)silyl]-2,6-dimethoxyphenyl]cycloheptan-1-ol?
The IUPAC name of 4-[4-[butyl(dimethyl)silyl]-2,6-dimethoxyphenyl]cycloheptan-1-ol (CID 175118617) is 4-[4-[butyl(dimethyl)silyl]-2,6-dimethoxyphenyl]cycloheptan-1-ol.
What is the SMILES notation for 4-[4-[butyl(dimethyl)silyl]-2,6-dimethoxyphenyl]cycloheptan-1-ol?
The canonical SMILES for 4-[4-[butyl(dimethyl)silyl]-2,6-dimethoxyphenyl]cycloheptan-1-ol is CCCC[Si](C)(C)c1cc(OC)c(C2CCCC(O)CC2)c(OC)c1.
What is the InChIKey of 4-[4-[butyl(dimethyl)silyl]-2,6-dimethoxyphenyl]cycloheptan-1-ol?
The InChIKey is AXEVVTBBUUJQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O3Si/c1-6-7-13-25(4,5)18-14-19(23-2)21(20(15-18)24-3)16-9-8-10-17(22)12-11-16/h14-17,22H,6-13H2,1-5H3.
What are the key properties of 4-[4-[butyl(dimethyl)silyl]-2,6-dimethoxyphenyl]cycloheptan-1-ol?
4-[4-[butyl(dimethyl)silyl]-2,6-dimethoxyphenyl]cycloheptan-1-ol has a molecular weight of 364.60 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[butyl(dimethyl)silyl]-2,6-dimethoxyphenyl]cycloheptan-1-ol is sourced from PubChem (CID 175118617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).