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

C16H32O2Si — CID 11426132

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol
SMILESCC1=C(CO[Si](C)(C)C(C)(C)C)C(C)(C)C(O)CC1
InChIInChI=1S/C16H32O2Si/c1-12-9-10-14(17)16(5,6)13(12)11-18-19(7,8)15(2,3)4/h14,17H,9-11H2,1-8H3
InChIKeyMYQADEHFHCLMLY-UHFFFAOYSA-N
MW284.52 g/mol
LogP4.51
Rot. Bonds3

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

3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol (PubChem CID 11426132) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol
PubChem CID11426132
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol
SMILESCC1=C(CO[Si](C)(C)C(C)(C)C)C(C)(C)C(O)CC1
InChIInChI=1S/C16H32O2Si/c1-12-9-10-14(17)16(5,6)13(12)11-18-19(7,8)15(2,3)4/h14,17H,9-11H2,1-8H3
InChIKeyMYQADEHFHCLMLY-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
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 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol (CID 11426132) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol is CC1=C(CO[Si](C)(C)C(C)(C)C)C(C)(C)C(O)CC1.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol?
The InChIKey is MYQADEHFHCLMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-12-9-10-14(17)16(5,6)13(12)11-18-19(7,8)15(2,3)4/h14,17H,9-11H2,1-8H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol has a molecular weight of 284.52 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol is sourced from PubChem (CID 11426132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).