2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanol;ethanol

C17H36O3Si — CID 66939414

IUPAC2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanol;ethanol
SMILESCC(C)(C)[Si](C)(C)OCC1=CCCC(CCO)C1.CCO
InChIInChI=1S/C15H30O2Si.C2H6O/c1-15(2,3)18(4,5)17-12-14-8-6-7-13(11-14)9-10-16;1-2-3/h8,13,16H,6-7,9-12H2,1-5H3;3H,2H2,1H3
InChIKeyPLIPKVOGUBEEQK-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.12
Rot. Bonds5

About 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanol;ethanol

2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanol;ethanol (PubChem CID 66939414) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanol;ethanol.

Molecular Properties

Compound Name2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanol;ethanol
PubChem CID66939414
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Name2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanol;ethanol
SMILESCC(C)(C)[Si](C)(C)OCC1=CCCC(CCO)C1.CCO
InChIInChI=1S/C15H30O2Si.C2H6O/c1-15(2,3)18(4,5)17-12-14-8-6-7-13(11-14)9-10-16;1-2-3/h8,13,16H,6-7,9-12H2,1-5H3;3H,2H2,1H3
InChIKeyPLIPKVOGUBEEQK-UHFFFAOYSA-N
XLogP4.12
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanol;ethanol?
The IUPAC name of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanol;ethanol (CID 66939414) is 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanol;ethanol.
What is the SMILES notation for 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanol;ethanol?
The canonical SMILES for 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanol;ethanol is CC(C)(C)[Si](C)(C)OCC1=CCCC(CCO)C1.CCO.
What is the InChIKey of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanol;ethanol?
The InChIKey is PLIPKVOGUBEEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si.C2H6O/c1-15(2,3)18(4,5)17-12-14-8-6-7-13(11-14)9-10-16;1-2-3/h8,13,16H,6-7,9-12H2,1-5H3;3H,2H2,1H3.
What are the key properties of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanol;ethanol?
2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanol;ethanol has a molecular weight of 316.56 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanol;ethanol is sourced from PubChem (CID 66939414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).