(4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol

C15H24O3Si — CID 129403845

IUPAC(4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)OCC[C@H]2O
InChIInChI=1S/C15H24O3Si/c1-15(2,3)19(4,5)18-11-6-7-12-13(16)8-9-17-14(12)10-11/h6-7,10,13,16H,8-9H2,1-5H3/t13-/m1/s1
InChIKeyWIHLEKULPYWOQD-CYBMUJFWSA-N
MW280.44 g/mol
LogP3.89
Rot. Bonds2

About (4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol

(4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 129403845) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is (4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID129403845
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name(4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)OCC[C@H]2O
InChIInChI=1S/C15H24O3Si/c1-15(2,3)19(4,5)18-11-6-7-12-13(16)8-9-17-14(12)10-11/h6-7,10,13,16H,8-9H2,1-5H3/t13-/m1/s1
InChIKeyWIHLEKULPYWOQD-CYBMUJFWSA-N
XLogP3.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol (CID 129403845) is (4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol is CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)OCC[C@H]2O.
What is the InChIKey of (4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is WIHLEKULPYWOQD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-15(2,3)19(4,5)18-11-6-7-12-13(16)8-9-17-14(12)10-11/h6-7,10,13,16H,8-9H2,1-5H3/t13-/m1/s1.
What are the key properties of (4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol?
(4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 280.44 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 129403845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).