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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Related Compounds

CID 90940518
CID 90940518
CID 12132314
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CID 15489656
CID 15489656
CID 102482532
CID 102482532
CID 134835026
CID 134835026
CID 134865610
CID 134865610
CID 134980794
CID 134980794
CID 10541081
CID 10541081
CID 11805182
CID 11805182
CID 145807081
CID 145807081
CID 145807102
CID 145807102
CID 162724307
CID 162724307

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).