2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4,5-tetramethylhex-5-en-1-ol

C17H36O2Si — CID 174050489

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4,5-tetramethylhex-5-en-1-ol
SMILESC=C(C)C(C)C(C)(C)C(CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-13(2)14(3)17(7,8)15(11-18)12-19-20(9,10)16(4,5)6/h14-15,18H,1,11-12H2,2-10H3
InChIKeyLITKTOLSKHXQLE-UHFFFAOYSA-N
MW300.56 g/mol
LogP4.86
Rot. Bonds7

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4,5-tetramethylhex-5-en-1-ol

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4,5-tetramethylhex-5-en-1-ol (PubChem CID 174050489) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4,5-tetramethylhex-5-en-1-ol.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4,5-tetramethylhex-5-en-1-ol
PubChem CID174050489
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4,5-tetramethylhex-5-en-1-ol
SMILESC=C(C)C(C)C(C)(C)C(CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-13(2)14(3)17(7,8)15(11-18)12-19-20(9,10)16(4,5)6/h14-15,18H,1,11-12H2,2-10H3
InChIKeyLITKTOLSKHXQLE-UHFFFAOYSA-N
XLogP4.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 54.86
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-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4,5-tetramethylhex-5-en-1-ol?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4,5-tetramethylhex-5-en-1-ol (CID 174050489) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4,5-tetramethylhex-5-en-1-ol.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4,5-tetramethylhex-5-en-1-ol?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4,5-tetramethylhex-5-en-1-ol is C=C(C)C(C)C(C)(C)C(CO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4,5-tetramethylhex-5-en-1-ol?
The InChIKey is LITKTOLSKHXQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-13(2)14(3)17(7,8)15(11-18)12-19-20(9,10)16(4,5)6/h14-15,18H,1,11-12H2,2-10H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4,5-tetramethylhex-5-en-1-ol?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4,5-tetramethylhex-5-en-1-ol has a molecular weight of 300.56 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4,5-tetramethylhex-5-en-1-ol is sourced from PubChem (CID 174050489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).