2-(5-tert-butyl-2-dimethylsilyloxycyclooctylidene)ethanol

C16H32O2Si — CID 131725171

IUPAC2-(5-tert-butyl-2-dimethylsilyloxycyclooctylidene)ethanol
SMILESC[SiH](C)OC1CCC(C(C)(C)C)CCCC1=CCO
InChIInChI=1S/C16H32O2Si/c1-16(2,3)14-8-6-7-13(11-12-17)15(10-9-14)18-19(4)5/h11,14-15,17,19H,6-10,12H2,1-5H3
InChIKeyUXJSHAJTGZVYFL-UHFFFAOYSA-N
MW284.52 g/mol
LogP3.90
Rot. Bonds3

About 2-(5-tert-butyl-2-dimethylsilyloxycyclooctylidene)ethanol

2-(5-tert-butyl-2-dimethylsilyloxycyclooctylidene)ethanol (PubChem CID 131725171) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-dimethylsilyloxycyclooctylidene)ethanol.

Molecular Properties

Compound Name2-(5-tert-butyl-2-dimethylsilyloxycyclooctylidene)ethanol
PubChem CID131725171
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name2-(5-tert-butyl-2-dimethylsilyloxycyclooctylidene)ethanol
SMILESC[SiH](C)OC1CCC(C(C)(C)C)CCCC1=CCO
InChIInChI=1S/C16H32O2Si/c1-16(2,3)14-8-6-7-13(11-12-17)15(10-9-14)18-19(4)5/h11,14-15,17,19H,6-10,12H2,1-5H3
InChIKeyUXJSHAJTGZVYFL-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
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-(5-tert-butyl-2-dimethylsilyloxycyclooctylidene)ethanol?
The IUPAC name of 2-(5-tert-butyl-2-dimethylsilyloxycyclooctylidene)ethanol (CID 131725171) is 2-(5-tert-butyl-2-dimethylsilyloxycyclooctylidene)ethanol.
What is the SMILES notation for 2-(5-tert-butyl-2-dimethylsilyloxycyclooctylidene)ethanol?
The canonical SMILES for 2-(5-tert-butyl-2-dimethylsilyloxycyclooctylidene)ethanol is C[SiH](C)OC1CCC(C(C)(C)C)CCCC1=CCO.
What is the InChIKey of 2-(5-tert-butyl-2-dimethylsilyloxycyclooctylidene)ethanol?
The InChIKey is UXJSHAJTGZVYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-16(2,3)14-8-6-7-13(11-12-17)15(10-9-14)18-19(4)5/h11,14-15,17,19H,6-10,12H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-2-dimethylsilyloxycyclooctylidene)ethanol?
2-(5-tert-butyl-2-dimethylsilyloxycyclooctylidene)ethanol has a molecular weight of 284.52 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-dimethylsilyloxycyclooctylidene)ethanol is sourced from PubChem (CID 131725171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).