ethene;bis(3-methylpentane);3-(2-trimethylsilyl-3-trimethylsilyloxypentyl)oxolane-2,5-dione

C31H66O4Si2 — CID 91431028

About ethene;bis(3-methylpentane);3-(2-trimethylsilyl-3-trimethylsilyloxypentyl)oxolane-2,5-dione

ethene;bis(3-methylpentane);3-(2-trimethylsilyl-3-trimethylsilyloxypentyl)oxolane-2,5-dione (PubChem CID 91431028) has the molecular formula C31H66O4Si2 and a molecular weight of 559.04 g/mol. Its IUPAC name is ethene;bis(3-methylpentane);3-(2-trimethylsilyl-3-trimethylsilyloxypentyl)oxolane-2,5-dione.

Molecular Properties

• Compound Name: ethene;bis(3-methylpentane);3-(2-trimethylsilyl-3-trimethylsilyloxypentyl)oxolane-2,5-dione
• PubChem CID: 91431028
• Molecular Formula: C31H66O4Si2
• Molecular Weight: 559.04 g/mol
• Exact Mass: 558.45
• IUPAC Name: ethene;bis(3-methylpentane);3-(2-trimethylsilyl-3-trimethylsilyloxypentyl)oxolane-2,5-dione
• SMILES: C=C.C=C.CCC(C)CC.CCC(C)CC.CCC(O[Si](C)(C)C)C(CC1CC(=O)OC1=O)[Si](C)(C)C
• InChI: InChI=1S/C15H30O4Si2.2C6H14.2C2H4/c1-8-12(19-21(5,6)7)13(20(2,3)4)9-11-10-14(16)18-15(11)17;2*1-4-6(3)5-2;2*1-2/h11-13H,8-10H2,1-7H3;2*6H,4-5H2,1-3H3;2*1-2H2
• InChIKey: FABLQTXLAQLRPV-UHFFFAOYSA-N
• XLogP: 10.29
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.04
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', '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 ethene;bis(3-methylpentane);3-(2-trimethylsilyl-3-trimethylsilyloxypentyl)oxolane-2,5-dione?

The IUPAC name of ethene;bis(3-methylpentane);3-(2-trimethylsilyl-3-trimethylsilyloxypentyl)oxolane-2,5-dione (CID 91431028) is ethene;bis(3-methylpentane);3-(2-trimethylsilyl-3-trimethylsilyloxypentyl)oxolane-2,5-dione.

What is the SMILES notation for ethene;bis(3-methylpentane);3-(2-trimethylsilyl-3-trimethylsilyloxypentyl)oxolane-2,5-dione?

The canonical SMILES for ethene;bis(3-methylpentane);3-(2-trimethylsilyl-3-trimethylsilyloxypentyl)oxolane-2,5-dione is C=C.C=C.CCC(C)CC.CCC(C)CC.CCC(O[Si](C)(C)C)C(CC1CC(=O)OC1=O)[Si](C)(C)C.

What is the InChIKey of ethene;bis(3-methylpentane);3-(2-trimethylsilyl-3-trimethylsilyloxypentyl)oxolane-2,5-dione?

The InChIKey is FABLQTXLAQLRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4Si2.2C6H14.2C2H4/c1-8-12(19-21(5,6)7)13(20(2,3)4)9-11-10-14(16)18-15(11)17;2*1-4-6(3)5-2;2*1-2/h11-13H,8-10H2,1-7H3;2*6H,4-5H2,1-3H3;2*1-2H2.

What are the key properties of ethene;bis(3-methylpentane);3-(2-trimethylsilyl-3-trimethylsilyloxypentyl)oxolane-2,5-dione?

ethene;bis(3-methylpentane);3-(2-trimethylsilyl-3-trimethylsilyloxypentyl)oxolane-2,5-dione has a molecular weight of 559.04 g/mol, XLogP of 10.29, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethene;bis(3-methylpentane);3-(2-trimethylsilyl-3-trimethylsilyloxypentyl)oxolane-2,5-dione is sourced from PubChem (CID 91431028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).