[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium

C27H46CrO2Si — CID 134940524

About [(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium

[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium (PubChem CID 134940524) has the molecular formula C27H46CrO2Si and a molecular weight of 482.75 g/mol. Its IUPAC name is [(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium.

Molecular Properties

• Compound Name: [(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium
• PubChem CID: 134940524
• Molecular Formula: C27H46CrO2Si
• Molecular Weight: 482.75 g/mol
• Exact Mass: 482.27
• IUPAC Name: [(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium
• SMILES: C#C[C@H](/C=C(\C)CC/C=C(\C)CC/C(C)=C/C(=[Cr])OC)O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C27H46O2Si.Cr/c1-12-27(29-30(21(2)3,22(4)5)23(6)7)20-26(10)15-13-14-24(8)16-17-25(9)18-19-28-11;/h1,14,18,20-23,27H,13,15-17H2,2-11H3;/b24-14+,25-18+,26-20+;/t27-;/m1./s1
• InChIKey: JRJDSSPELCXNJA-SYKKEWNHSA-N
• XLogP: 7.90
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.75
LogP ≤ 5	7.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium?

The IUPAC name of [(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium (CID 134940524) is [(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium.

What is the SMILES notation for [(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium?

The canonical SMILES for [(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium is C#C[C@H](/C=C(\C)CC/C=C(\C)CC/C(C)=C/C(=[Cr])OC)O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of [(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium?

The InChIKey is JRJDSSPELCXNJA-SYKKEWNHSA-N. The full InChI is InChI=1S/C27H46O2Si.Cr/c1-12-27(29-30(21(2)3,22(4)5)23(6)7)20-26(10)15-13-14-24(8)16-17-25(9)18-19-28-11;/h1,14,18,20-23,27H,13,15-17H2,2-11H3;/b24-14+,25-18+,26-20+;/t27-;/m1./s1.

What are the key properties of [(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium?

[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium has a molecular weight of 482.75 g/mol, XLogP of 7.90, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium is sourced from PubChem (CID 134940524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).