[(7aS)-7a-methyl-1-trimethylsilyloxy-6,7-dihydroinden-5-yl]oxy-trimethylsilane

C16H28O2Si2 — CID 71201695

IUPAC[(7aS)-7a-methyl-1-trimethylsilyloxy-6,7-dihydroinden-5-yl]oxy-trimethylsilane
SMILESC[C@]12CCC(O[Si](C)(C)C)=CC1=CC=C2O[Si](C)(C)C
InChIInChI=1S/C16H28O2Si2/c1-16-11-10-14(17-19(2,3)4)12-13(16)8-9-15(16)18-20(5,6)7/h8-9,12H,10-11H2,1-7H3/t16-/m0/s1
InChIKeyIZNUEADUUDHGHA-INIZCTEOSA-N
MW308.57 g/mol
LogP5.20
Rot. Bonds4

About [(7aS)-7a-methyl-1-trimethylsilyloxy-6,7-dihydroinden-5-yl]oxy-trimethylsilane

[(7aS)-7a-methyl-1-trimethylsilyloxy-6,7-dihydroinden-5-yl]oxy-trimethylsilane (PubChem CID 71201695) has the molecular formula C16H28O2Si2 and a molecular weight of 308.57 g/mol. Its IUPAC name is [(7aS)-7a-methyl-1-trimethylsilyloxy-6,7-dihydroinden-5-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(7aS)-7a-methyl-1-trimethylsilyloxy-6,7-dihydroinden-5-yl]oxy-trimethylsilane
PubChem CID71201695
Molecular FormulaC16H28O2Si2
Molecular Weight308.57 g/mol
Exact Mass308.16
IUPAC Name[(7aS)-7a-methyl-1-trimethylsilyloxy-6,7-dihydroinden-5-yl]oxy-trimethylsilane
SMILESC[C@]12CCC(O[Si](C)(C)C)=CC1=CC=C2O[Si](C)(C)C
InChIInChI=1S/C16H28O2Si2/c1-16-11-10-14(17-19(2,3)4)12-13(16)8-9-15(16)18-20(5,6)7/h8-9,12H,10-11H2,1-7H3/t16-/m0/s1
InChIKeyIZNUEADUUDHGHA-INIZCTEOSA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.57
LogP ≤ 55.20
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 [(7aS)-7a-methyl-1-trimethylsilyloxy-6,7-dihydroinden-5-yl]oxy-trimethylsilane?
The IUPAC name of [(7aS)-7a-methyl-1-trimethylsilyloxy-6,7-dihydroinden-5-yl]oxy-trimethylsilane (CID 71201695) is [(7aS)-7a-methyl-1-trimethylsilyloxy-6,7-dihydroinden-5-yl]oxy-trimethylsilane.
What is the SMILES notation for [(7aS)-7a-methyl-1-trimethylsilyloxy-6,7-dihydroinden-5-yl]oxy-trimethylsilane?
The canonical SMILES for [(7aS)-7a-methyl-1-trimethylsilyloxy-6,7-dihydroinden-5-yl]oxy-trimethylsilane is C[C@]12CCC(O[Si](C)(C)C)=CC1=CC=C2O[Si](C)(C)C.
What is the InChIKey of [(7aS)-7a-methyl-1-trimethylsilyloxy-6,7-dihydroinden-5-yl]oxy-trimethylsilane?
The InChIKey is IZNUEADUUDHGHA-INIZCTEOSA-N. The full InChI is InChI=1S/C16H28O2Si2/c1-16-11-10-14(17-19(2,3)4)12-13(16)8-9-15(16)18-20(5,6)7/h8-9,12H,10-11H2,1-7H3/t16-/m0/s1.
What are the key properties of [(7aS)-7a-methyl-1-trimethylsilyloxy-6,7-dihydroinden-5-yl]oxy-trimethylsilane?
[(7aS)-7a-methyl-1-trimethylsilyloxy-6,7-dihydroinden-5-yl]oxy-trimethylsilane has a molecular weight of 308.57 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(7aS)-7a-methyl-1-trimethylsilyloxy-6,7-dihydroinden-5-yl]oxy-trimethylsilane is sourced from PubChem (CID 71201695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).