2-[cyclohexyl-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

C17H32O7P2 — CID 140535406

About 2-[cyclohexyl-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

2-[cyclohexyl-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 140535406) has the molecular formula C17H32O7P2 and a molecular weight of 410.38 g/mol. Its IUPAC name is 2-[cyclohexyl-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

• Compound Name: 2-[cyclohexyl-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
• PubChem CID: 140535406
• Molecular Formula: C17H32O7P2
• Molecular Weight: 410.38 g/mol
• Exact Mass: 410.16
• IUPAC Name: 2-[cyclohexyl-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
• SMILES: CC1(C)COP(=O)(OC(C2CCCCC2)P2(=O)OCC(C)(C)CO2)OC1
• InChI: InChI=1S/C17H32O7P2/c1-16(2)10-20-25(18,21-11-16)15(14-8-6-5-7-9-14)24-26(19)22-12-17(3,4)13-23-26/h14-15H,5-13H2,1-4H3
• InChIKey: IIIORFNBJBLORB-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.38
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?

The IUPAC name of 2-[cyclohexyl-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 140535406) is 2-[cyclohexyl-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.

What is the SMILES notation for 2-[cyclohexyl-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?

The canonical SMILES for 2-[cyclohexyl-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is CC1(C)COP(=O)(OC(C2CCCCC2)P2(=O)OCC(C)(C)CO2)OC1.

What is the InChIKey of 2-[cyclohexyl-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?

The InChIKey is IIIORFNBJBLORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O7P2/c1-16(2)10-20-25(18,21-11-16)15(14-8-6-5-7-9-14)24-26(19)22-12-17(3,4)13-23-26/h14-15H,5-13H2,1-4H3.

What are the key properties of 2-[cyclohexyl-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?

2-[cyclohexyl-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 410.38 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclohexyl-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 140535406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).