cyclohexen-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane

C22H36O2Si — CID 74425605

About cyclohexen-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane

cyclohexen-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane (PubChem CID 74425605) has the molecular formula C22H36O2Si and a molecular weight of 360.61 g/mol. Its IUPAC name is cyclohexen-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane.

Molecular Properties

• Compound Name: cyclohexen-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane
• PubChem CID: 74425605
• Molecular Formula: C22H36O2Si
• Molecular Weight: 360.61 g/mol
• Exact Mass: 360.25
• IUPAC Name: cyclohexen-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane
• SMILES: C=C(C)C1C=C(O[Si](OC2=CCCCC2)(C(C)C)C(C)C)C(C)=CC1
• InChI: InChI=1S/C22H36O2Si/c1-16(2)20-14-13-19(7)22(15-20)24-25(17(3)4,18(5)6)23-21-11-9-8-10-12-21/h11,13,15,17-18,20H,1,8-10,12,14H2,2-7H3
• InChIKey: QINBGRCIRNBOMN-UHFFFAOYSA-N
• XLogP: 7.17
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.61
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 cyclohexen-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane?

The IUPAC name of cyclohexen-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane (CID 74425605) is cyclohexen-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane.

What is the SMILES notation for cyclohexen-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane?

The canonical SMILES for cyclohexen-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane is C=C(C)C1C=C(O[Si](OC2=CCCCC2)(C(C)C)C(C)C)C(C)=CC1.

What is the InChIKey of cyclohexen-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane?

The InChIKey is QINBGRCIRNBOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O2Si/c1-16(2)20-14-13-19(7)22(15-20)24-25(17(3)4,18(5)6)23-21-11-9-8-10-12-21/h11,13,15,17-18,20H,1,8-10,12,14H2,2-7H3.

What are the key properties of cyclohexen-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane?

cyclohexen-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane has a molecular weight of 360.61 g/mol, XLogP of 7.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexen-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane is sourced from PubChem (CID 74425605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).