2-(7a-methyl-4-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)propoxy-tert-butyl-dimethylsilane

C26H44O2Si — CID 139704666

IUPAC2-(7a-methyl-4-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)propoxy-tert-butyl-dimethylsilane
SMILESCC(CO[Si](C)(C)C(C)(C)C)C1CCC2C(OCc3ccccc3)CCCC12C
InChIInChI=1S/C26H44O2Si/c1-20(18-28-29(6,7)25(2,3)4)22-15-16-23-24(14-11-17-26(22,23)5)27-19-21-12-9-8-10-13-21/h8-10,12-13,20,22-24H,11,14-19H2,1-7H3
InChIKeyOEOWCJZNRIIXSS-UHFFFAOYSA-N
MW416.72 g/mol
LogP7.45
Rot. Bonds7

About 2-(7a-methyl-4-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)propoxy-tert-butyl-dimethylsilane

2-(7a-methyl-4-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)propoxy-tert-butyl-dimethylsilane (PubChem CID 139704666) has the molecular formula C26H44O2Si and a molecular weight of 416.72 g/mol. Its IUPAC name is 2-(7a-methyl-4-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)propoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-(7a-methyl-4-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)propoxy-tert-butyl-dimethylsilane
PubChem CID139704666
Molecular FormulaC26H44O2Si
Molecular Weight416.72 g/mol
Exact Mass416.31
IUPAC Name2-(7a-methyl-4-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)propoxy-tert-butyl-dimethylsilane
SMILESCC(CO[Si](C)(C)C(C)(C)C)C1CCC2C(OCc3ccccc3)CCCC12C
InChIInChI=1S/C26H44O2Si/c1-20(18-28-29(6,7)25(2,3)4)22-15-16-23-24(14-11-17-26(22,23)5)27-19-21-12-9-8-10-13-21/h8-10,12-13,20,22-24H,11,14-19H2,1-7H3
InChIKeyOEOWCJZNRIIXSS-UHFFFAOYSA-N
XLogP7.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.72
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(7a-methyl-4-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)propoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-(7a-methyl-4-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)propoxy-tert-butyl-dimethylsilane (CID 139704666) is 2-(7a-methyl-4-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)propoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-(7a-methyl-4-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)propoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-(7a-methyl-4-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)propoxy-tert-butyl-dimethylsilane is CC(CO[Si](C)(C)C(C)(C)C)C1CCC2C(OCc3ccccc3)CCCC12C.
What is the InChIKey of 2-(7a-methyl-4-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)propoxy-tert-butyl-dimethylsilane?
The InChIKey is OEOWCJZNRIIXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O2Si/c1-20(18-28-29(6,7)25(2,3)4)22-15-16-23-24(14-11-17-26(22,23)5)27-19-21-12-9-8-10-13-21/h8-10,12-13,20,22-24H,11,14-19H2,1-7H3.
What are the key properties of 2-(7a-methyl-4-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)propoxy-tert-butyl-dimethylsilane?
2-(7a-methyl-4-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)propoxy-tert-butyl-dimethylsilane has a molecular weight of 416.72 g/mol, XLogP of 7.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7a-methyl-4-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)propoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 139704666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).