[8-bromo-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy-tert-butyl-dimethylsilane

C32H51BrO2Si — CID 10460768

IUPAC[8-bromo-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1(C)CCc2cc(O[Si](C)(C)C(C)(C)C)cc(Br)c2O1
InChIInChI=1S/C32H51BrO2Si/c1-24(2)14-11-15-25(3)16-12-17-26(4)18-13-20-32(8)21-19-27-22-28(23-29(33)30(27)34-32)35-36(9,10)31(5,6)7/h14,16,18,22-23H,11-13,15,17,19-21H2,1-10H3/b25-16+,26-18+
InChIKeyHATVJXUMJDWSDE-BNBFUNNKSA-N
MW575.75 g/mol
LogP11.12
Rot. Bonds11

About [8-bromo-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy-tert-butyl-dimethylsilane

[8-bromo-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10460768) has the molecular formula C32H51BrO2Si and a molecular weight of 575.75 g/mol. Its IUPAC name is [8-bromo-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[8-bromo-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10460768
Molecular FormulaC32H51BrO2Si
Molecular Weight575.75 g/mol
Exact Mass574.28
IUPAC Name[8-bromo-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1(C)CCc2cc(O[Si](C)(C)C(C)(C)C)cc(Br)c2O1
InChIInChI=1S/C32H51BrO2Si/c1-24(2)14-11-15-25(3)16-12-17-26(4)18-13-20-32(8)21-19-27-22-28(23-29(33)30(27)34-32)35-36(9,10)31(5,6)7/h14,16,18,22-23H,11-13,15,17,19-21H2,1-10H3/b25-16+,26-18+
InChIKeyHATVJXUMJDWSDE-BNBFUNNKSA-N
XLogP11.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.75
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [8-bromo-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [8-bromo-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy-tert-butyl-dimethylsilane (CID 10460768) is [8-bromo-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [8-bromo-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [8-bromo-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy-tert-butyl-dimethylsilane is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1(C)CCc2cc(O[Si](C)(C)C(C)(C)C)cc(Br)c2O1.
What is the InChIKey of [8-bromo-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is HATVJXUMJDWSDE-BNBFUNNKSA-N. The full InChI is InChI=1S/C32H51BrO2Si/c1-24(2)14-11-15-25(3)16-12-17-26(4)18-13-20-32(8)21-19-27-22-28(23-29(33)30(27)34-32)35-36(9,10)31(5,6)7/h14,16,18,22-23H,11-13,15,17,19-21H2,1-10H3/b25-16+,26-18+.
What are the key properties of [8-bromo-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy-tert-butyl-dimethylsilane?
[8-bromo-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 575.75 g/mol, XLogP of 11.12, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-bromo-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10460768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).