2,5-bis[tert-butyl(dimethyl)silyl]-5-deuterio-1-phenylpenta-2,3,4-trien-1-ol

C23H38OSi2 — CID 102172162

IUPAC2,5-bis[tert-butyl(dimethyl)silyl]-5-deuterio-1-phenylpenta-2,3,4-trien-1-ol
SMILES[2H]C(=C=C=C(C(O)c1ccccc1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H38OSi2/c1-22(2,3)25(7,8)18-14-17-20(26(9,10)23(4,5)6)21(24)19-15-12-11-13-16-19/h11-13,15-16,18,21,24H,1-10H3/b20-18-/i18D
InChIKeyJHGOYGXVAQGHHC-WIZSGJJXSA-N
MW387.73 g/mol
LogP7.05
Rot. Bonds4

About 2,5-bis[tert-butyl(dimethyl)silyl]-5-deuterio-1-phenylpenta-2,3,4-trien-1-ol

2,5-bis[tert-butyl(dimethyl)silyl]-5-deuterio-1-phenylpenta-2,3,4-trien-1-ol (PubChem CID 102172162) has the molecular formula C23H38OSi2 and a molecular weight of 387.73 g/mol. Its IUPAC name is 2,5-bis[tert-butyl(dimethyl)silyl]-5-deuterio-1-phenylpenta-2,3,4-trien-1-ol.

Molecular Properties

Compound Name2,5-bis[tert-butyl(dimethyl)silyl]-5-deuterio-1-phenylpenta-2,3,4-trien-1-ol
PubChem CID102172162
Molecular FormulaC23H38OSi2
Molecular Weight387.73 g/mol
Exact Mass387.25
IUPAC Name2,5-bis[tert-butyl(dimethyl)silyl]-5-deuterio-1-phenylpenta-2,3,4-trien-1-ol
SMILES[2H]C(=C=C=C(C(O)c1ccccc1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H38OSi2/c1-22(2,3)25(7,8)18-14-17-20(26(9,10)23(4,5)6)21(24)19-15-12-11-13-16-19/h11-13,15-16,18,21,24H,1-10H3/b20-18-/i18D
InChIKeyJHGOYGXVAQGHHC-WIZSGJJXSA-N
XLogP7.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.73
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,5-bis[tert-butyl(dimethyl)silyl]-5-deuterio-1-phenylpenta-2,3,4-trien-1-ol?
The IUPAC name of 2,5-bis[tert-butyl(dimethyl)silyl]-5-deuterio-1-phenylpenta-2,3,4-trien-1-ol (CID 102172162) is 2,5-bis[tert-butyl(dimethyl)silyl]-5-deuterio-1-phenylpenta-2,3,4-trien-1-ol.
What is the SMILES notation for 2,5-bis[tert-butyl(dimethyl)silyl]-5-deuterio-1-phenylpenta-2,3,4-trien-1-ol?
The canonical SMILES for 2,5-bis[tert-butyl(dimethyl)silyl]-5-deuterio-1-phenylpenta-2,3,4-trien-1-ol is [2H]C(=C=C=C(C(O)c1ccccc1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2,5-bis[tert-butyl(dimethyl)silyl]-5-deuterio-1-phenylpenta-2,3,4-trien-1-ol?
The InChIKey is JHGOYGXVAQGHHC-WIZSGJJXSA-N. The full InChI is InChI=1S/C23H38OSi2/c1-22(2,3)25(7,8)18-14-17-20(26(9,10)23(4,5)6)21(24)19-15-12-11-13-16-19/h11-13,15-16,18,21,24H,1-10H3/b20-18-/i18D.
What are the key properties of 2,5-bis[tert-butyl(dimethyl)silyl]-5-deuterio-1-phenylpenta-2,3,4-trien-1-ol?
2,5-bis[tert-butyl(dimethyl)silyl]-5-deuterio-1-phenylpenta-2,3,4-trien-1-ol has a molecular weight of 387.73 g/mol, XLogP of 7.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[tert-butyl(dimethyl)silyl]-5-deuterio-1-phenylpenta-2,3,4-trien-1-ol is sourced from PubChem (CID 102172162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).