(2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane

C₃₂H₅₆Si — CID 158857288

About (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane

(2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane (PubChem CID 158857288) has the molecular formula C₃₂H₅₆Si and a molecular weight of 468.89 g/mol. Its IUPAC name is (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane.

Molecular Properties

• Compound Name: (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane
• PubChem CID: 158857288
• Molecular Formula: C₃₂H₅₆Si
• Molecular Weight: 468.89 g/mol
• Exact Mass: 468.42
• IUPAC Name: (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane
• SMILES: CCCCCCCCCCCCCCCCCCC1=C(C)C([SiH2]C2(C)C=CC=CC2)C=C1C
• InChI: InChI=1S/C32H56Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-30-28(2)27-31(29(30)3)33-32(4)25-22-20-23-26-32/h20,22-23,25,27,31H,5-19,21,24,26,33H2,1-4H3
• InChIKey: HLDXIISDVDXCBG-UHFFFAOYSA-N
• XLogP: 10.57
• TPSA: 0.00 Ų
• Rotatable Bonds: 19
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.89
LogP ≤ 5	10.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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 (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane?

The IUPAC name of (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane (CID 158857288) is (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane.

What is the SMILES notation for (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane?

The canonical SMILES for (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane is CCCCCCCCCCCCCCCCCCC1=C(C)C([SiH2]C2(C)C=CC=CC2)C=C1C.

What is the InChIKey of (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane?

The InChIKey is HLDXIISDVDXCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-30-28(2)27-31(29(30)3)33-32(4)25-22-20-23-26-32/h20,22-23,25,27,31H,5-19,21,24,26,33H2,1-4H3.

What are the key properties of (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane?

(2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane has a molecular weight of 468.89 g/mol, XLogP of 10.57, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane is sourced from PubChem (CID 158857288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158857288 — identifiers, structure, computed properties (public domain)

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