(6E,10E)-2-bromo-13-[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-6,10-dien-3-ol

C35H59BrO3Si — CID 156720921

About (6E,10E)-2-bromo-13-[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-6,10-dien-3-ol

(6E,10E)-2-bromo-13-[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-6,10-dien-3-ol (PubChem CID 156720921) has the molecular formula C35H59BrO3Si and a molecular weight of 635.84 g/mol. Its IUPAC name is (6E,10E)-2-bromo-13-[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-6,10-dien-3-ol.

Molecular Properties

• Compound Name: (6E,10E)-2-bromo-13-[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-6,10-dien-3-ol
• PubChem CID: 156720921
• Molecular Formula: C35H59BrO3Si
• Molecular Weight: 635.84 g/mol
• Exact Mass: 634.34
• IUPAC Name: (6E,10E)-2-bromo-13-[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-6,10-dien-3-ol
• SMILES: C/C(=C\CC[C@]1(C)CCc2c(C)c(O[Si](C)(C)C(C)(C)C)c(C)c(C)c2O1)CC/C=C(\C)CCC(O)C(C)(C)Br
• InChI: InChI=1S/C35H59BrO3Si/c1-24(16-14-17-25(2)19-20-30(37)34(9,10)36)18-15-22-35(11)23-21-29-28(5)31(26(3)27(4)32(29)38-35)39-40(12,13)33(6,7)8/h17-18,30,37H,14-16,19-23H2,1-13H3/b24-18+,25-17+/t30?,35-/m1/s1
• InChIKey: KMMCULYLVFZGAB-YNBUQJPUSA-N
• XLogP: 10.85
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.84
LogP ≤ 5	10.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-2-bromo-13-[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-6,10-dien-3-ol?

The IUPAC name of (6E,10E)-2-bromo-13-[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-6,10-dien-3-ol (CID 156720921) is (6E,10E)-2-bromo-13-[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-6,10-dien-3-ol.

What is the SMILES notation for (6E,10E)-2-bromo-13-[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-6,10-dien-3-ol?

The canonical SMILES for (6E,10E)-2-bromo-13-[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-6,10-dien-3-ol is C/C(=C\CC[C@]1(C)CCc2c(C)c(O[Si](C)(C)C(C)(C)C)c(C)c(C)c2O1)CC/C=C(\C)CCC(O)C(C)(C)Br.

What is the InChIKey of (6E,10E)-2-bromo-13-[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-6,10-dien-3-ol?

The InChIKey is KMMCULYLVFZGAB-YNBUQJPUSA-N. The full InChI is InChI=1S/C35H59BrO3Si/c1-24(16-14-17-25(2)19-20-30(37)34(9,10)36)18-15-22-35(11)23-21-29-28(5)31(26(3)27(4)32(29)38-35)39-40(12,13)33(6,7)8/h17-18,30,37H,14-16,19-23H2,1-13H3/b24-18+,25-17+/t30?,35-/m1/s1.

What are the key properties of (6E,10E)-2-bromo-13-[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-6,10-dien-3-ol?

(6E,10E)-2-bromo-13-[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-6,10-dien-3-ol has a molecular weight of 635.84 g/mol, XLogP of 10.85, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6E,10E)-2-bromo-13-[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-6,10-dien-3-ol is sourced from PubChem (CID 156720921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).