(3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol

C22H40O2Si — CID 46180291

About (3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol

(3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol (PubChem CID 46180291) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is (3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol.

Molecular Properties

• Compound Name: (3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol
• PubChem CID: 46180291
• Molecular Formula: C22H40O2Si
• Molecular Weight: 364.65 g/mol
• Exact Mass: 364.28
• IUPAC Name: (3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol
• SMILES: C=C/C(C)=C\C(C)=C/[C@H](C)[C@H](O)/C=C(\C)CCO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H40O2Si/c1-11-17(2)14-19(4)15-20(5)21(23)16-18(3)12-13-24-25(9,10)22(6,7)8/h11,14-16,20-21,23H,1,12-13H2,2-10H3/b17-14-,18-16+,19-15-/t20-,21+/m0/s1
• InChIKey: LXIXNDKMOHYOQM-IUSUBDQTSA-N
• XLogP: 6.42
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	364.65
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	1
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': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol?

The IUPAC name of (3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol (CID 46180291) is (3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol.

What is the SMILES notation for (3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol?

The canonical SMILES for (3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol is C=C/C(C)=C\C(C)=C/[C@H](C)[C@H](O)/C=C(\C)CCO[Si](C)(C)C(C)(C)C.

What is the InChIKey of (3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol?

The InChIKey is LXIXNDKMOHYOQM-IUSUBDQTSA-N. The full InChI is InChI=1S/C22H40O2Si/c1-11-17(2)14-19(4)15-20(5)21(23)16-18(3)12-13-24-25(9,10)22(6,7)8/h11,14-16,20-21,23H,1,12-13H2,2-10H3/b17-14-,18-16+,19-15-/t20-,21+/m0/s1.

What are the key properties of (3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol?

(3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol has a molecular weight of 364.65 g/mol, XLogP of 6.42, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol is sourced from PubChem (CID 46180291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).