6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol

C16H30O3Si — CID 11415303

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC(CCCCCO)c1ccco1
InChIInChI=1S/C16H30O3Si/c1-16(2,3)20(4,5)19-15(10-7-6-8-12-17)14-11-9-13-18-14/h9,11,13,15,17H,6-8,10,12H2,1-5H3
InChIKeyWJLWNIOCYBTTDK-UHFFFAOYSA-N
MW298.50 g/mol
LogP4.90
Rot. Bonds8

About 6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol

6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol (PubChem CID 11415303) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol
PubChem CID11415303
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC(CCCCCO)c1ccco1
InChIInChI=1S/C16H30O3Si/c1-16(2,3)20(4,5)19-15(10-7-6-8-12-17)14-11-9-13-18-14/h9,11,13,15,17H,6-8,10,12H2,1-5H3
InChIKeyWJLWNIOCYBTTDK-UHFFFAOYSA-N
XLogP4.90
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol (CID 11415303) is 6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol is CC(C)(C)[Si](C)(C)OC(CCCCCO)c1ccco1.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol?
The InChIKey is WJLWNIOCYBTTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-16(2,3)20(4,5)19-15(10-7-6-8-12-17)14-11-9-13-18-14/h9,11,13,15,17H,6-8,10,12H2,1-5H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol?
6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol has a molecular weight of 298.50 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol is sourced from PubChem (CID 11415303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).