8-[dimethyl(propan-2-yl)silyl]oxy-7,7,12,12-tetramethyl-11-(oxan-2-yloxy)-1,4-dioxacyclotetradecane-9,10-dione

C26H48O7Si — CID 10505563

About 8-[dimethyl(propan-2-yl)silyl]oxy-7,7,12,12-tetramethyl-11-(oxan-2-yloxy)-1,4-dioxacyclotetradecane-9,10-dione

8-[dimethyl(propan-2-yl)silyl]oxy-7,7,12,12-tetramethyl-11-(oxan-2-yloxy)-1,4-dioxacyclotetradecane-9,10-dione (PubChem CID 10505563) has the molecular formula C26H48O7Si and a molecular weight of 500.75 g/mol. Its IUPAC name is 8-[dimethyl(propan-2-yl)silyl]oxy-7,7,12,12-tetramethyl-11-(oxan-2-yloxy)-1,4-dioxacyclotetradecane-9,10-dione.

Molecular Properties

• Compound Name: 8-[dimethyl(propan-2-yl)silyl]oxy-7,7,12,12-tetramethyl-11-(oxan-2-yloxy)-1,4-dioxacyclotetradecane-9,10-dione
• PubChem CID: 10505563
• Molecular Formula: C26H48O7Si
• Molecular Weight: 500.75 g/mol
• Exact Mass: 500.32
• IUPAC Name: 8-[dimethyl(propan-2-yl)silyl]oxy-7,7,12,12-tetramethyl-11-(oxan-2-yloxy)-1,4-dioxacyclotetradecane-9,10-dione
• SMILES: CC(C)[Si](C)(C)OC1C(=O)C(=O)C(OC2CCCCO2)C(C)(C)CCOCCOCCC1(C)C
• InChI: InChI=1S/C26H48O7Si/c1-19(2)34(7,8)33-24-22(28)21(27)23(32-20-11-9-10-14-31-20)25(3,4)12-15-29-17-18-30-16-13-26(24,5)6/h19-20,23-24H,9-18H2,1-8H3
• InChIKey: IPQXXEQICZJORU-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.75
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[dimethyl(propan-2-yl)silyl]oxy-7,7,12,12-tetramethyl-11-(oxan-2-yloxy)-1,4-dioxacyclotetradecane-9,10-dione?

The IUPAC name of 8-[dimethyl(propan-2-yl)silyl]oxy-7,7,12,12-tetramethyl-11-(oxan-2-yloxy)-1,4-dioxacyclotetradecane-9,10-dione (CID 10505563) is 8-[dimethyl(propan-2-yl)silyl]oxy-7,7,12,12-tetramethyl-11-(oxan-2-yloxy)-1,4-dioxacyclotetradecane-9,10-dione.

What is the SMILES notation for 8-[dimethyl(propan-2-yl)silyl]oxy-7,7,12,12-tetramethyl-11-(oxan-2-yloxy)-1,4-dioxacyclotetradecane-9,10-dione?

The canonical SMILES for 8-[dimethyl(propan-2-yl)silyl]oxy-7,7,12,12-tetramethyl-11-(oxan-2-yloxy)-1,4-dioxacyclotetradecane-9,10-dione is CC(C)[Si](C)(C)OC1C(=O)C(=O)C(OC2CCCCO2)C(C)(C)CCOCCOCCC1(C)C.

What is the InChIKey of 8-[dimethyl(propan-2-yl)silyl]oxy-7,7,12,12-tetramethyl-11-(oxan-2-yloxy)-1,4-dioxacyclotetradecane-9,10-dione?

The InChIKey is IPQXXEQICZJORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O7Si/c1-19(2)34(7,8)33-24-22(28)21(27)23(32-20-11-9-10-14-31-20)25(3,4)12-15-29-17-18-30-16-13-26(24,5)6/h19-20,23-24H,9-18H2,1-8H3.

What are the key properties of 8-[dimethyl(propan-2-yl)silyl]oxy-7,7,12,12-tetramethyl-11-(oxan-2-yloxy)-1,4-dioxacyclotetradecane-9,10-dione?

8-[dimethyl(propan-2-yl)silyl]oxy-7,7,12,12-tetramethyl-11-(oxan-2-yloxy)-1,4-dioxacyclotetradecane-9,10-dione has a molecular weight of 500.75 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[dimethyl(propan-2-yl)silyl]oxy-7,7,12,12-tetramethyl-11-(oxan-2-yloxy)-1,4-dioxacyclotetradecane-9,10-dione is sourced from PubChem (CID 10505563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).