2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane

C22H44O2Si2 — CID 11133057

IUPAC2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane
SMILESC[C@H]1CCC=C2CC[C@H](OCC[Si](C)(C)C)[C@@]21CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O2Si2/c1-18-11-10-12-19-13-14-20(23-15-16-25(5,6)7)22(18,19)17-24-26(8,9)21(2,3)4/h12,18,20H,10-11,13-17H2,1-9H3/t18-,20-,22+/m0/s1
InChIKeyWMMJQMFAVWYVCH-RCZSKKKRSA-N
MW396.76 g/mol
LogP6.87
Rot. Bonds7

About 2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane

2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane (PubChem CID 11133057) has the molecular formula C22H44O2Si2 and a molecular weight of 396.76 g/mol. Its IUPAC name is 2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane
PubChem CID11133057
Molecular FormulaC22H44O2Si2
Molecular Weight396.76 g/mol
Exact Mass396.29
IUPAC Name2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane
SMILESC[C@H]1CCC=C2CC[C@H](OCC[Si](C)(C)C)[C@@]21CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O2Si2/c1-18-11-10-12-19-13-14-20(23-15-16-25(5,6)7)22(18,19)17-24-26(8,9)21(2,3)4/h12,18,20H,10-11,13-17H2,1-9H3/t18-,20-,22+/m0/s1
InChIKeyWMMJQMFAVWYVCH-RCZSKKKRSA-N
XLogP6.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.76
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane (CID 11133057) is 2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane is C[C@H]1CCC=C2CC[C@H](OCC[Si](C)(C)C)[C@@]21CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane?
The InChIKey is WMMJQMFAVWYVCH-RCZSKKKRSA-N. The full InChI is InChI=1S/C22H44O2Si2/c1-18-11-10-12-19-13-14-20(23-15-16-25(5,6)7)22(18,19)17-24-26(8,9)21(2,3)4/h12,18,20H,10-11,13-17H2,1-9H3/t18-,20-,22+/m0/s1.
What are the key properties of 2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane?
2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane has a molecular weight of 396.76 g/mol, XLogP of 6.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane is sourced from PubChem (CID 11133057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).