(1S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dihydro-2-benzofuran-1-ol

C15H24O3Si — CID 140757691

IUPAC(1S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dihydro-2-benzofuran-1-ol
SMILESCC(C)(C)[Si](C)(C)OCc1ccc2c(c1)CO[C@@H]2O
InChIInChI=1S/C15H24O3Si/c1-15(2,3)19(4,5)18-9-11-6-7-13-12(8-11)10-17-14(13)16/h6-8,14,16H,9-10H2,1-5H3/t14-/m0/s1
InChIKeyBVZGGCAZFFBHLO-AWEZNQCLSA-N
MW280.44 g/mol
LogP3.73
Rot. Bonds3

About (1S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dihydro-2-benzofuran-1-ol

(1S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dihydro-2-benzofuran-1-ol (PubChem CID 140757691) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is (1S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dihydro-2-benzofuran-1-ol.

Molecular Properties

Compound Name(1S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dihydro-2-benzofuran-1-ol
PubChem CID140757691
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name(1S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dihydro-2-benzofuran-1-ol
SMILESCC(C)(C)[Si](C)(C)OCc1ccc2c(c1)CO[C@@H]2O
InChIInChI=1S/C15H24O3Si/c1-15(2,3)19(4,5)18-9-11-6-7-13-12(8-11)10-17-14(13)16/h6-8,14,16H,9-10H2,1-5H3/t14-/m0/s1
InChIKeyBVZGGCAZFFBHLO-AWEZNQCLSA-N
XLogP3.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.73
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 (1S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dihydro-2-benzofuran-1-ol?
The IUPAC name of (1S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dihydro-2-benzofuran-1-ol (CID 140757691) is (1S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dihydro-2-benzofuran-1-ol.
What is the SMILES notation for (1S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dihydro-2-benzofuran-1-ol?
The canonical SMILES for (1S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dihydro-2-benzofuran-1-ol is CC(C)(C)[Si](C)(C)OCc1ccc2c(c1)CO[C@@H]2O.
What is the InChIKey of (1S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dihydro-2-benzofuran-1-ol?
The InChIKey is BVZGGCAZFFBHLO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-15(2,3)19(4,5)18-9-11-6-7-13-12(8-11)10-17-14(13)16/h6-8,14,16H,9-10H2,1-5H3/t14-/m0/s1.
What are the key properties of (1S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dihydro-2-benzofuran-1-ol?
(1S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dihydro-2-benzofuran-1-ol has a molecular weight of 280.44 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dihydro-2-benzofuran-1-ol is sourced from PubChem (CID 140757691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).