[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-(3,4-dimethoxy-5-prop-1-en-2-ylphenyl)methanol

C26H38O4Si — CID 56934793

IUPAC[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-(3,4-dimethoxy-5-prop-1-en-2-ylphenyl)methanol
SMILESC=C(C)c1cc(C(O)c2c(C)ccc(O[Si](C)(C)C(C)(C)C)c2C)cc(OC)c1OC
InChIInChI=1S/C26H38O4Si/c1-16(2)20-14-19(15-22(28-8)25(20)29-9)24(27)23-17(3)12-13-21(18(23)4)30-31(10,11)26(5,6)7/h12-15,24,27H,1H2,2-11H3
InChIKeyOAJJAYWSQBQSQE-UHFFFAOYSA-N
MW442.67 g/mol
LogP6.82
Rot. Bonds7

About [3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-(3,4-dimethoxy-5-prop-1-en-2-ylphenyl)methanol

[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-(3,4-dimethoxy-5-prop-1-en-2-ylphenyl)methanol (PubChem CID 56934793) has the molecular formula C26H38O4Si and a molecular weight of 442.67 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-(3,4-dimethoxy-5-prop-1-en-2-ylphenyl)methanol.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-(3,4-dimethoxy-5-prop-1-en-2-ylphenyl)methanol
PubChem CID56934793
Molecular FormulaC26H38O4Si
Molecular Weight442.67 g/mol
Exact Mass442.25
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-(3,4-dimethoxy-5-prop-1-en-2-ylphenyl)methanol
SMILESC=C(C)c1cc(C(O)c2c(C)ccc(O[Si](C)(C)C(C)(C)C)c2C)cc(OC)c1OC
InChIInChI=1S/C26H38O4Si/c1-16(2)20-14-19(15-22(28-8)25(20)29-9)24(27)23-17(3)12-13-21(18(23)4)30-31(10,11)26(5,6)7/h12-15,24,27H,1H2,2-11H3
InChIKeyOAJJAYWSQBQSQE-UHFFFAOYSA-N
XLogP6.82
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.67
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-(3,4-dimethoxy-5-prop-1-en-2-ylphenyl)methanol?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-(3,4-dimethoxy-5-prop-1-en-2-ylphenyl)methanol (CID 56934793) is [3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-(3,4-dimethoxy-5-prop-1-en-2-ylphenyl)methanol.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-(3,4-dimethoxy-5-prop-1-en-2-ylphenyl)methanol?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-(3,4-dimethoxy-5-prop-1-en-2-ylphenyl)methanol is C=C(C)c1cc(C(O)c2c(C)ccc(O[Si](C)(C)C(C)(C)C)c2C)cc(OC)c1OC.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-(3,4-dimethoxy-5-prop-1-en-2-ylphenyl)methanol?
The InChIKey is OAJJAYWSQBQSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O4Si/c1-16(2)20-14-19(15-22(28-8)25(20)29-9)24(27)23-17(3)12-13-21(18(23)4)30-31(10,11)26(5,6)7/h12-15,24,27H,1H2,2-11H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-(3,4-dimethoxy-5-prop-1-en-2-ylphenyl)methanol?
[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-(3,4-dimethoxy-5-prop-1-en-2-ylphenyl)methanol has a molecular weight of 442.67 g/mol, XLogP of 6.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-(3,4-dimethoxy-5-prop-1-en-2-ylphenyl)methanol is sourced from PubChem (CID 56934793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).