3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane

C24H40Cl2O2Si2 — CID 87936554

About 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane

3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane (PubChem CID 87936554) has the molecular formula C24H40Cl2O2Si2 and a molecular weight of 487.66 g/mol. Its IUPAC name is 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane.

Molecular Properties

• Compound Name: 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane
• PubChem CID: 87936554
• Molecular Formula: C24H40Cl2O2Si2
• Molecular Weight: 487.66 g/mol
• Exact Mass: 486.19
• IUPAC Name: 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane
• SMILES: CC(C1=CCC(Cl)=C1CCCO[Si](C)(C)C)C1=CCC(Cl)=C1CCCO[Si](C)(C)C
• InChI: InChI=1S/C24H40Cl2O2Si2/c1-18(19-12-14-23(25)21(19)10-8-16-27-29(2,3)4)20-13-15-24(26)22(20)11-9-17-28-30(5,6)7/h12-13,18H,8-11,14-17H2,1-7H3
• InChIKey: DQCROBCGSNQYFG-UHFFFAOYSA-N
• XLogP: 8.53
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.66
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane?

The IUPAC name of 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane (CID 87936554) is 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane.

What is the SMILES notation for 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane?

The canonical SMILES for 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane is CC(C1=CCC(Cl)=C1CCCO[Si](C)(C)C)C1=CCC(Cl)=C1CCCO[Si](C)(C)C.

What is the InChIKey of 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane?

The InChIKey is DQCROBCGSNQYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40Cl2O2Si2/c1-18(19-12-14-23(25)21(19)10-8-16-27-29(2,3)4)20-13-15-24(26)22(20)11-9-17-28-30(5,6)7/h12-13,18H,8-11,14-17H2,1-7H3.

What are the key properties of 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane?

3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane has a molecular weight of 487.66 g/mol, XLogP of 8.53, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-chloro-5-[1-[4-chloro-5-(3-trimethylsilyloxypropyl)cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,4-dien-1-yl]propoxy-trimethylsilane is sourced from PubChem (CID 87936554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).