[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-thiophen-3-ylmethanol

C17H24O2SSi — CID 23553300

IUPAC[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-thiophen-3-ylmethanol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(O)c2ccsc2)cc1
InChIInChI=1S/C17H24O2SSi/c1-17(2,3)21(4,5)19-15-8-6-13(7-9-15)16(18)14-10-11-20-12-14/h6-12,16,18H,1-5H3
InChIKeyVXOVLPLXTCJQPV-UHFFFAOYSA-N
MW320.53 g/mol
LogP5.21
Rot. Bonds4

About [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-thiophen-3-ylmethanol

[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-thiophen-3-ylmethanol (PubChem CID 23553300) has the molecular formula C17H24O2SSi and a molecular weight of 320.53 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-thiophen-3-ylmethanol.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-thiophen-3-ylmethanol
PubChem CID23553300
Molecular FormulaC17H24O2SSi
Molecular Weight320.53 g/mol
Exact Mass320.13
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-thiophen-3-ylmethanol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(O)c2ccsc2)cc1
InChIInChI=1S/C17H24O2SSi/c1-17(2,3)21(4,5)19-15-8-6-13(7-9-15)16(18)14-10-11-20-12-14/h6-12,16,18H,1-5H3
InChIKeyVXOVLPLXTCJQPV-UHFFFAOYSA-N
XLogP5.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.53
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-thiophen-3-ylmethanol?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-thiophen-3-ylmethanol (CID 23553300) is [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-thiophen-3-ylmethanol.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-thiophen-3-ylmethanol?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-thiophen-3-ylmethanol is CC(C)(C)[Si](C)(C)Oc1ccc(C(O)c2ccsc2)cc1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-thiophen-3-ylmethanol?
The InChIKey is VXOVLPLXTCJQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2SSi/c1-17(2,3)21(4,5)19-15-8-6-13(7-9-15)16(18)14-10-11-20-12-14/h6-12,16,18H,1-5H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-thiophen-3-ylmethanol?
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-thiophen-3-ylmethanol has a molecular weight of 320.53 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxyphenyl]-thiophen-3-ylmethanol is sourced from PubChem (CID 23553300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).