2-(5,5-dimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-dien-6-yl)ethanol

C9H14OSi — CID 23303736

IUPAC2-(5,5-dimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-dien-6-yl)ethanol
SMILESC[Si]1(C)C2=CCC1=C2CCO
InChIInChI=1S/C9H14OSi/c1-11(2)8-3-4-9(11)7(8)5-6-10/h3,10H,4-6H2,1-2H3
InChIKeyIABRANKADUDDOT-UHFFFAOYSA-N
MW166.30 g/mol
LogP1.80
Rot. Bonds2

About 2-(5,5-dimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-dien-6-yl)ethanol

2-(5,5-dimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-dien-6-yl)ethanol (PubChem CID 23303736) has the molecular formula C9H14OSi and a molecular weight of 166.30 g/mol. Its IUPAC name is 2-(5,5-dimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-dien-6-yl)ethanol.

Molecular Properties

Compound Name2-(5,5-dimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-dien-6-yl)ethanol
PubChem CID23303736
Molecular FormulaC9H14OSi
Molecular Weight166.30 g/mol
Exact Mass166.08
IUPAC Name2-(5,5-dimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-dien-6-yl)ethanol
SMILESC[Si]1(C)C2=CCC1=C2CCO
InChIInChI=1S/C9H14OSi/c1-11(2)8-3-4-9(11)7(8)5-6-10/h3,10H,4-6H2,1-2H3
InChIKeyIABRANKADUDDOT-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(5,5-dimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-dien-6-yl)ethanol?
The IUPAC name of 2-(5,5-dimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-dien-6-yl)ethanol (CID 23303736) is 2-(5,5-dimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-dien-6-yl)ethanol.
What is the SMILES notation for 2-(5,5-dimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-dien-6-yl)ethanol?
The canonical SMILES for 2-(5,5-dimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-dien-6-yl)ethanol is C[Si]1(C)C2=CCC1=C2CCO.
What is the InChIKey of 2-(5,5-dimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-dien-6-yl)ethanol?
The InChIKey is IABRANKADUDDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OSi/c1-11(2)8-3-4-9(11)7(8)5-6-10/h3,10H,4-6H2,1-2H3.
What are the key properties of 2-(5,5-dimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-dien-6-yl)ethanol?
2-(5,5-dimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-dien-6-yl)ethanol has a molecular weight of 166.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-5-silabicyclo[2.1.1]hexa-1,4(6)-dien-6-yl)ethanol is sourced from PubChem (CID 23303736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).