2-methyl-5-[(Z)-2-methyl-7-trimethylsilyl-3-tri(propan-2-yl)silyloxyhept-5-en-2-yl]oxycyclohexa-2,5-diene-1,4-dione

C27H48O4Si2 — CID 71486242

About 2-methyl-5-[(Z)-2-methyl-7-trimethylsilyl-3-tri(propan-2-yl)silyloxyhept-5-en-2-yl]oxycyclohexa-2,5-diene-1,4-dione

2-methyl-5-[(Z)-2-methyl-7-trimethylsilyl-3-tri(propan-2-yl)silyloxyhept-5-en-2-yl]oxycyclohexa-2,5-diene-1,4-dione (PubChem CID 71486242) has the molecular formula C27H48O4Si2 and a molecular weight of 492.85 g/mol. Its IUPAC name is 2-methyl-5-[(Z)-2-methyl-7-trimethylsilyl-3-tri(propan-2-yl)silyloxyhept-5-en-2-yl]oxycyclohexa-2,5-diene-1,4-dione.

Molecular Properties

• Compound Name: 2-methyl-5-[(Z)-2-methyl-7-trimethylsilyl-3-tri(propan-2-yl)silyloxyhept-5-en-2-yl]oxycyclohexa-2,5-diene-1,4-dione
• PubChem CID: 71486242
• Molecular Formula: C27H48O4Si2
• Molecular Weight: 492.85 g/mol
• Exact Mass: 492.31
• IUPAC Name: 2-methyl-5-[(Z)-2-methyl-7-trimethylsilyl-3-tri(propan-2-yl)silyloxyhept-5-en-2-yl]oxycyclohexa-2,5-diene-1,4-dione
• SMILES: CC1=CC(=O)C(OC(C)(C)C(C/C=C\C[Si](C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)=CC1=O
• InChI: InChI=1S/C27H48O4Si2/c1-19(2)33(20(3)4,21(5)6)31-26(15-13-14-16-32(10,11)12)27(8,9)30-25-18-23(28)22(7)17-24(25)29/h13-14,17-21,26H,15-16H2,1-12H3/b14-13-
• InChIKey: GXLVJYSIHGZFEJ-YPKPFQOOSA-N
• XLogP: 7.61
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.85
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', '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 2-methyl-5-[(Z)-2-methyl-7-trimethylsilyl-3-tri(propan-2-yl)silyloxyhept-5-en-2-yl]oxycyclohexa-2,5-diene-1,4-dione?

The IUPAC name of 2-methyl-5-[(Z)-2-methyl-7-trimethylsilyl-3-tri(propan-2-yl)silyloxyhept-5-en-2-yl]oxycyclohexa-2,5-diene-1,4-dione (CID 71486242) is 2-methyl-5-[(Z)-2-methyl-7-trimethylsilyl-3-tri(propan-2-yl)silyloxyhept-5-en-2-yl]oxycyclohexa-2,5-diene-1,4-dione.

What is the SMILES notation for 2-methyl-5-[(Z)-2-methyl-7-trimethylsilyl-3-tri(propan-2-yl)silyloxyhept-5-en-2-yl]oxycyclohexa-2,5-diene-1,4-dione?

The canonical SMILES for 2-methyl-5-[(Z)-2-methyl-7-trimethylsilyl-3-tri(propan-2-yl)silyloxyhept-5-en-2-yl]oxycyclohexa-2,5-diene-1,4-dione is CC1=CC(=O)C(OC(C)(C)C(C/C=C\C[Si](C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)=CC1=O.

What is the InChIKey of 2-methyl-5-[(Z)-2-methyl-7-trimethylsilyl-3-tri(propan-2-yl)silyloxyhept-5-en-2-yl]oxycyclohexa-2,5-diene-1,4-dione?

The InChIKey is GXLVJYSIHGZFEJ-YPKPFQOOSA-N. The full InChI is InChI=1S/C27H48O4Si2/c1-19(2)33(20(3)4,21(5)6)31-26(15-13-14-16-32(10,11)12)27(8,9)30-25-18-23(28)22(7)17-24(25)29/h13-14,17-21,26H,15-16H2,1-12H3/b14-13-.

What are the key properties of 2-methyl-5-[(Z)-2-methyl-7-trimethylsilyl-3-tri(propan-2-yl)silyloxyhept-5-en-2-yl]oxycyclohexa-2,5-diene-1,4-dione?

2-methyl-5-[(Z)-2-methyl-7-trimethylsilyl-3-tri(propan-2-yl)silyloxyhept-5-en-2-yl]oxycyclohexa-2,5-diene-1,4-dione has a molecular weight of 492.85 g/mol, XLogP of 7.61, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[(Z)-2-methyl-7-trimethylsilyl-3-tri(propan-2-yl)silyloxyhept-5-en-2-yl]oxycyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 71486242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).