3-[6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethylchromen-2-yl]propan-1-ol

C20H32O3Si — CID 11710011

IUPAC3-[6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethylchromen-2-yl]propan-1-ol
SMILESCc1cc(O[Si](C)(C)C(C)(C)C)cc2c1OC(C)(CCCO)C=C2
InChIInChI=1S/C20H32O3Si/c1-15-13-17(23-24(6,7)19(2,3)4)14-16-9-11-20(5,10-8-12-21)22-18(15)16/h9,11,13-14,21H,8,10,12H2,1-7H3
InChIKeyRYTQJFIYLSXIFM-UHFFFAOYSA-N
MW348.56 g/mol
LogP5.32
Rot. Bonds5

About 3-[6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethylchromen-2-yl]propan-1-ol

3-[6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethylchromen-2-yl]propan-1-ol (PubChem CID 11710011) has the molecular formula C20H32O3Si and a molecular weight of 348.56 g/mol. Its IUPAC name is 3-[6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethylchromen-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethylchromen-2-yl]propan-1-ol
PubChem CID11710011
Molecular FormulaC20H32O3Si
Molecular Weight348.56 g/mol
Exact Mass348.21
IUPAC Name3-[6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethylchromen-2-yl]propan-1-ol
SMILESCc1cc(O[Si](C)(C)C(C)(C)C)cc2c1OC(C)(CCCO)C=C2
InChIInChI=1S/C20H32O3Si/c1-15-13-17(23-24(6,7)19(2,3)4)14-16-9-11-20(5,10-8-12-21)22-18(15)16/h9,11,13-14,21H,8,10,12H2,1-7H3
InChIKeyRYTQJFIYLSXIFM-UHFFFAOYSA-N
XLogP5.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.56
LogP ≤ 55.32
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 3-[6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethylchromen-2-yl]propan-1-ol?
The IUPAC name of 3-[6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethylchromen-2-yl]propan-1-ol (CID 11710011) is 3-[6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethylchromen-2-yl]propan-1-ol.
What is the SMILES notation for 3-[6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethylchromen-2-yl]propan-1-ol?
The canonical SMILES for 3-[6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethylchromen-2-yl]propan-1-ol is Cc1cc(O[Si](C)(C)C(C)(C)C)cc2c1OC(C)(CCCO)C=C2.
What is the InChIKey of 3-[6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethylchromen-2-yl]propan-1-ol?
The InChIKey is RYTQJFIYLSXIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3Si/c1-15-13-17(23-24(6,7)19(2,3)4)14-16-9-11-20(5,10-8-12-21)22-18(15)16/h9,11,13-14,21H,8,10,12H2,1-7H3.
What are the key properties of 3-[6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethylchromen-2-yl]propan-1-ol?
3-[6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethylchromen-2-yl]propan-1-ol has a molecular weight of 348.56 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethylchromen-2-yl]propan-1-ol is sourced from PubChem (CID 11710011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).