[(4aS,8aS)-8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane

C16H32O2Si2 — CID 164675582

IUPAC[(4aS,8aS)-8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1=CC[C@@H]2CCCC[C@]2(O[Si](C)(C)C)C1
InChIInChI=1S/C16H32O2Si2/c1-19(2,3)17-15-11-10-14-9-7-8-12-16(14,13-15)18-20(4,5)6/h11,14H,7-10,12-13H2,1-6H3/t14-,16-/m0/s1
InChIKeyXGBDDXBRSKWTSF-HOCLYGCPSA-N
MW312.60 g/mol
LogP5.30
Rot. Bonds4

About [(4aS,8aS)-8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane

[(4aS,8aS)-8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane (PubChem CID 164675582) has the molecular formula C16H32O2Si2 and a molecular weight of 312.60 g/mol. Its IUPAC name is [(4aS,8aS)-8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(4aS,8aS)-8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane
PubChem CID164675582
Molecular FormulaC16H32O2Si2
Molecular Weight312.60 g/mol
Exact Mass312.19
IUPAC Name[(4aS,8aS)-8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1=CC[C@@H]2CCCC[C@]2(O[Si](C)(C)C)C1
InChIInChI=1S/C16H32O2Si2/c1-19(2,3)17-15-11-10-14-9-7-8-12-16(14,13-15)18-20(4,5)6/h11,14H,7-10,12-13H2,1-6H3/t14-,16-/m0/s1
InChIKeyXGBDDXBRSKWTSF-HOCLYGCPSA-N
XLogP5.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.60
LogP ≤ 55.30
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 [(4aS,8aS)-8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane?
The IUPAC name of [(4aS,8aS)-8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane (CID 164675582) is [(4aS,8aS)-8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(4aS,8aS)-8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(4aS,8aS)-8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane is C[Si](C)(C)OC1=CC[C@@H]2CCCC[C@]2(O[Si](C)(C)C)C1.
What is the InChIKey of [(4aS,8aS)-8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane?
The InChIKey is XGBDDXBRSKWTSF-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H32O2Si2/c1-19(2,3)17-15-11-10-14-9-7-8-12-16(14,13-15)18-20(4,5)6/h11,14H,7-10,12-13H2,1-6H3/t14-,16-/m0/s1.
What are the key properties of [(4aS,8aS)-8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane?
[(4aS,8aS)-8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane has a molecular weight of 312.60 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aS)-8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 164675582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).