2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol

C14H24O2Si — CID 10800835

IUPAC2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(CCO)c1
InChIInChI=1S/C14H24O2Si/c1-14(2,3)17(4,5)16-13-8-6-7-12(11-13)9-10-15/h6-8,11,15H,9-10H2,1-5H3
InChIKeyKLUUQDLUISLUNK-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.61
Rot. Bonds4

About 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol

2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol (PubChem CID 10800835) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol.

Molecular Properties

Compound Name2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol
PubChem CID10800835
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(CCO)c1
InChIInChI=1S/C14H24O2Si/c1-14(2,3)17(4,5)16-13-8-6-7-12(11-13)9-10-15/h6-8,11,15H,9-10H2,1-5H3
InChIKeyKLUUQDLUISLUNK-UHFFFAOYSA-N
XLogP3.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol?
The IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol (CID 10800835) is 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol.
What is the SMILES notation for 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol?
The canonical SMILES for 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol is CC(C)(C)[Si](C)(C)Oc1cccc(CCO)c1.
What is the InChIKey of 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol?
The InChIKey is KLUUQDLUISLUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-14(2,3)17(4,5)16-13-8-6-7-12(11-13)9-10-15/h6-8,11,15H,9-10H2,1-5H3.
What are the key properties of 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol?
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol has a molecular weight of 252.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol is sourced from PubChem (CID 10800835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).