methyl 3-[bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate;methyl 3-[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphinothioyl]sulfanylpropanoate

C110H231O26P11S22 — CID 162102336

About methyl 3-[bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate;methyl 3-[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphinothioyl]sulfanylpropanoate

methyl 3-[bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate;methyl 3-[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphinothioyl]sulfanylpropanoate (PubChem CID 162102336) has the molecular formula C110H231O26P11S22 and a molecular weight of 3016.22 g/mol. Its IUPAC name is methyl 3-[bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate;methyl 3-[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphinothioyl]sulfanylpropanoate.

Molecular Properties

• Compound Name: methyl 3-[bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate;methyl 3-[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphinothioyl]sulfanylpropanoate
• PubChem CID: 162102336
• Molecular Formula: C110H231O26P11S22
• Molecular Weight: 3016.22 g/mol
• Exact Mass: 3012.77
• IUPAC Name: methyl 3-[bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate;methyl 3-[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphinothioyl]sulfanylpropanoate
• SMILES: COC(=O)CCSP(=S)(OC(C)C)OC(C)CSP(=S)(OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C.COC(=O)CCSP(=S)(OC(C)CSP(=S)(OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)OC(C)CSP(=S)(OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C
• InChI: InChI=1S/C70H147O16P7S14.C40H84O10P4S8/c1-48(2)34-56(17)73-88(95,74-57(18)35-49(3)4)102-44-66(27)83-92(99,84-67(28)45-103-89(96,75-58(19)36-50(5)6)76-59(20)37-51(7)8)106-42-64(25)81-87(94,101-33-32-70(71)72-31)82-65(26)43-107-93(100,85-68(29)46-104-90(97,77-60(21)38-52(9)10)78-61(22)39-53(11)12)86-69(30)47-105-91(98,79-62(23)40-54(13)14)80-63(24)41-55(15)16;1-28(2)21-33(11)44-52(56,45-34(12)22-29(3)4)60-26-38(16)49-54(58,62-25-37(15)48-51(55,43-32(9)10)59-20-19-40(41)42-18)50-39(17)27-61-53(57,46-35(13)23-30(5)6)47-36(14)24-31(7)8/h48-69H,32-47H2,1-31H3;28-39H,19-27H2,1-18H3
• InChIKey: ZFBBCBLQZDETGB-UHFFFAOYSA-N
• XLogP: 44.12
• TPSA: 255.66 Ų
• H-Bond Acceptors: 48
• Rotatable Bonds: 103
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3016.22
LogP ≤ 5	44.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate;methyl 3-[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphinothioyl]sulfanylpropanoate?

The IUPAC name of methyl 3-[bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate;methyl 3-[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphinothioyl]sulfanylpropanoate (CID 162102336) is methyl 3-[bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate;methyl 3-[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphinothioyl]sulfanylpropanoate.

What is the SMILES notation for methyl 3-[bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate;methyl 3-[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphinothioyl]sulfanylpropanoate?

The canonical SMILES for methyl 3-[bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate;methyl 3-[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphinothioyl]sulfanylpropanoate is COC(=O)CCSP(=S)(OC(C)C)OC(C)CSP(=S)(OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C.COC(=O)CCSP(=S)(OC(C)CSP(=S)(OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)OC(C)CSP(=S)(OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C.

What is the InChIKey of methyl 3-[bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate;methyl 3-[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphinothioyl]sulfanylpropanoate?

The InChIKey is ZFBBCBLQZDETGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H147O16P7S14.C40H84O10P4S8/c1-48(2)34-56(17)73-88(95,74-57(18)35-49(3)4)102-44-66(27)83-92(99,84-67(28)45-103-89(96,75-58(19)36-50(5)6)76-59(20)37-51(7)8)106-42-64(25)81-87(94,101-33-32-70(71)72-31)82-65(26)43-107-93(100,85-68(29)46-104-90(97,77-60(21)38-52(9)10)78-61(22)39-53(11)12)86-69(30)47-105-91(98,79-62(23)40-54(13)14)80-63(24)41-55(15)16;1-28(2)21-33(11)44-52(56,45-34(12)22-29(3)4)60-26-38(16)49-54(58,62-25-37(15)48-51(55,43-32(9)10)59-20-19-40(41)42-18)50-39(17)27-61-53(57,46-35(13)23-30(5)6)47-36(14)24-31(7)8/h48-69H,32-47H2,1-31H3;28-39H,19-27H2,1-18H3.

What are the key properties of methyl 3-[bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate;methyl 3-[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphinothioyl]sulfanylpropanoate?

methyl 3-[bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate;methyl 3-[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphinothioyl]sulfanylpropanoate has a molecular weight of 3016.22 g/mol, XLogP of 44.12, 103 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate;methyl 3-[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphinothioyl]sulfanylpropanoate is sourced from PubChem (CID 162102336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).