2-methyl-6-triethylsilyloxy-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one

C31H62O3Si2 — CID 78392008

About 2-methyl-6-triethylsilyloxy-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one

2-methyl-6-triethylsilyloxy-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one (PubChem CID 78392008) has the molecular formula C31H62O3Si2 and a molecular weight of 539.01 g/mol. Its IUPAC name is 2-methyl-6-triethylsilyloxy-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one.

Molecular Properties

• Compound Name: 2-methyl-6-triethylsilyloxy-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one
• PubChem CID: 78392008
• Molecular Formula: C31H62O3Si2
• Molecular Weight: 539.01 g/mol
• Exact Mass: 538.42
• IUPAC Name: 2-methyl-6-triethylsilyloxy-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one
• SMILES: CCC(C=CCCC(=O)CC(CCC=C(C)C)O[Si](CC)(CC)CC)O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C31H62O3Si2/c1-13-30(34-36(26(7)8,27(9)10)28(11)12)22-18-17-21-29(32)24-31(23-19-20-25(5)6)33-35(14-2,15-3)16-4/h18,20,22,26-28,30-31H,13-17,19,21,23-24H2,1-12H3
• InChIKey: XTGQAYZJZHKQSB-UHFFFAOYSA-N
• XLogP: 10.39
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 20
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.01
LogP ≤ 5	10.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-triethylsilyloxy-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one?

The IUPAC name of 2-methyl-6-triethylsilyloxy-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one (CID 78392008) is 2-methyl-6-triethylsilyloxy-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one.

What is the SMILES notation for 2-methyl-6-triethylsilyloxy-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one?

The canonical SMILES for 2-methyl-6-triethylsilyloxy-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one is CCC(C=CCCC(=O)CC(CCC=C(C)C)O[Si](CC)(CC)CC)O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of 2-methyl-6-triethylsilyloxy-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one?

The InChIKey is XTGQAYZJZHKQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62O3Si2/c1-13-30(34-36(26(7)8,27(9)10)28(11)12)22-18-17-21-29(32)24-31(23-19-20-25(5)6)33-35(14-2,15-3)16-4/h18,20,22,26-28,30-31H,13-17,19,21,23-24H2,1-12H3.

What are the key properties of 2-methyl-6-triethylsilyloxy-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one?

2-methyl-6-triethylsilyloxy-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one has a molecular weight of 539.01 g/mol, XLogP of 10.39, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-6-triethylsilyloxy-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one is sourced from PubChem (CID 78392008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).