2-[[16-[(4,4-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-6,10,12,18,22,24-hexakis[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2,8,14,20-tetramethyl-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane

C72H104O24P8 — CID 11320878

About 2-[[16-[(4,4-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-6,10,12,18,22,24-hexakis[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2,8,14,20-tetramethyl-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane

2-[[16-[(4,4-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-6,10,12,18,22,24-hexakis[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2,8,14,20-tetramethyl-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane (PubChem CID 11320878) has the molecular formula C72H104O24P8 and a molecular weight of 1601.39 g/mol. Its IUPAC name is 2-[[16-[(4,4-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-6,10,12,18,22,24-hexakis[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2,8,14,20-tetramethyl-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane.

Molecular Properties

• Compound Name: 2-[[16-[(4,4-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-6,10,12,18,22,24-hexakis[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2,8,14,20-tetramethyl-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane
• PubChem CID: 11320878
• Molecular Formula: C72H104O24P8
• Molecular Weight: 1601.39 g/mol
• Exact Mass: 1600.48
• IUPAC Name: 2-[[16-[(4,4-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-6,10,12,18,22,24-hexakis[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2,8,14,20-tetramethyl-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane
• SMILES: CC1c2cc(c(OP3OCC(C)(C)CO3)cc2OP2OCC(C)(C)CO2)C(C)c2cc(c(OP3OCC(C)(C)CO3)cc2OP2OCC(C)(C)CO2)C(C)c2cc(c(OP3OCC(C)(C)CO3)cc2OP2OCCC(C)(C)O2)C(C)c2cc1c(OP1OCC(C)(C)CO1)cc2OP1OCC(C)(C)CO1
• InChI: InChI=1S/C72H104O24P8/c1-45-49-23-50(58(89-98-76-33-66(7,8)34-77-98)27-57(49)88-97-74-31-65(5,6)32-75-97)46(2)53-25-54(62(93-102-84-41-70(15,16)42-85-102)29-61(53)92-101-82-39-69(13,14)40-83-101)48(4)56-26-55(63(94-103-86-43-71(17,18)44-87-103)30-64(56)95-104-73-22-21-72(19,20)96-104)47(3)52-24-51(45)59(90-99-78-35-67(9,10)36-79-99)28-60(52)91-100-80-37-68(11,12)38-81-100/h23-30,45-48H,21-22,31-44H2,1-20H3
• InChIKey: OBIIPNWJUGECEO-UHFFFAOYSA-N
• XLogP: 22.18
• TPSA: 221.52 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1601.39
LogP ≤ 5	22.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[16-[(4,4-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-6,10,12,18,22,24-hexakis[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2,8,14,20-tetramethyl-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane?

The IUPAC name of 2-[[16-[(4,4-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-6,10,12,18,22,24-hexakis[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2,8,14,20-tetramethyl-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane (CID 11320878) is 2-[[16-[(4,4-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-6,10,12,18,22,24-hexakis[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2,8,14,20-tetramethyl-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane.

What is the SMILES notation for 2-[[16-[(4,4-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-6,10,12,18,22,24-hexakis[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2,8,14,20-tetramethyl-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane?

The canonical SMILES for 2-[[16-[(4,4-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-6,10,12,18,22,24-hexakis[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2,8,14,20-tetramethyl-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane is CC1c2cc(c(OP3OCC(C)(C)CO3)cc2OP2OCC(C)(C)CO2)C(C)c2cc(c(OP3OCC(C)(C)CO3)cc2OP2OCC(C)(C)CO2)C(C)c2cc(c(OP3OCC(C)(C)CO3)cc2OP2OCCC(C)(C)O2)C(C)c2cc1c(OP1OCC(C)(C)CO1)cc2OP1OCC(C)(C)CO1.

What is the InChIKey of 2-[[16-[(4,4-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-6,10,12,18,22,24-hexakis[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2,8,14,20-tetramethyl-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane?

The InChIKey is OBIIPNWJUGECEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H104O24P8/c1-45-49-23-50(58(89-98-76-33-66(7,8)34-77-98)27-57(49)88-97-74-31-65(5,6)32-75-97)46(2)53-25-54(62(93-102-84-41-70(15,16)42-85-102)29-61(53)92-101-82-39-69(13,14)40-83-101)48(4)56-26-55(63(94-103-86-43-71(17,18)44-87-103)30-64(56)95-104-73-22-21-72(19,20)96-104)47(3)52-24-51(45)59(90-99-78-35-67(9,10)36-79-99)28-60(52)91-100-80-37-68(11,12)38-81-100/h23-30,45-48H,21-22,31-44H2,1-20H3.

What are the key properties of 2-[[16-[(4,4-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-6,10,12,18,22,24-hexakis[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2,8,14,20-tetramethyl-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane?

2-[[16-[(4,4-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-6,10,12,18,22,24-hexakis[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2,8,14,20-tetramethyl-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane has a molecular weight of 1601.39 g/mol, XLogP of 22.18, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[16-[(4,4-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-6,10,12,18,22,24-hexakis[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2,8,14,20-tetramethyl-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane is sourced from PubChem (CID 11320878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).