bis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane

C64H128N2O8Sn — CID 159751289

IUPACbis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OCCCCCCCCCCCCO)C(C)(C)C2)CC(C)(C)N1OCCCCCCCCCCCCO.CCCC[SnH](CCCC)CCCC
InChIInChI=1S/C52H100N2O8.3C4H9.Sn.H/c1-49(2)41-45(42-50(3,4)53(49)59-39-33-27-21-15-11-9-13-19-25-31-37-55)61-47(57)35-29-23-17-18-24-30-36-48(58)62-46-43-51(5,6)54(52(7,8)44-46)60-40-34-28-22-16-12-10-14-20-26-32-38-56;3*1-3-4-2;;/h45-46,55-56H,9-44H2,1-8H3;3*1,3-4H2,2H3;;
InChIKeyNDRMHJMFGIUQFF-UHFFFAOYSA-N
MW1172.44 g/mol
LogP17.50
Rot. Bonds46

About bis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane

bis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane (PubChem CID 159751289) has the molecular formula C64H128N2O8Sn and a molecular weight of 1172.44 g/mol. Its IUPAC name is bis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane.

Molecular Properties

Compound Namebis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane
PubChem CID159751289
Molecular FormulaC64H128N2O8Sn
Molecular Weight1172.44 g/mol
Exact Mass1172.87
IUPAC Namebis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OCCCCCCCCCCCCO)C(C)(C)C2)CC(C)(C)N1OCCCCCCCCCCCCO.CCCC[SnH](CCCC)CCCC
InChIInChI=1S/C52H100N2O8.3C4H9.Sn.H/c1-49(2)41-45(42-50(3,4)53(49)59-39-33-27-21-15-11-9-13-19-25-31-37-55)61-47(57)35-29-23-17-18-24-30-36-48(58)62-46-43-51(5,6)54(52(7,8)44-46)60-40-34-28-22-16-12-10-14-20-26-32-38-56;3*1-3-4-2;;/h45-46,55-56H,9-44H2,1-8H3;3*1,3-4H2,2H3;;
InChIKeyNDRMHJMFGIUQFF-UHFFFAOYSA-N
XLogP17.50
TPSA118.00 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds46
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001172.44
LogP ≤ 517.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane?
The IUPAC name of bis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane (CID 159751289) is bis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane.
What is the SMILES notation for bis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane?
The canonical SMILES for bis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane is CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OCCCCCCCCCCCCO)C(C)(C)C2)CC(C)(C)N1OCCCCCCCCCCCCO.CCCC[SnH](CCCC)CCCC.
What is the InChIKey of bis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane?
The InChIKey is NDRMHJMFGIUQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H100N2O8.3C4H9.Sn.H/c1-49(2)41-45(42-50(3,4)53(49)59-39-33-27-21-15-11-9-13-19-25-31-37-55)61-47(57)35-29-23-17-18-24-30-36-48(58)62-46-43-51(5,6)54(52(7,8)44-46)60-40-34-28-22-16-12-10-14-20-26-32-38-56;3*1-3-4-2;;/h45-46,55-56H,9-44H2,1-8H3;3*1,3-4H2,2H3;;.
What are the key properties of bis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane?
bis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane has a molecular weight of 1172.44 g/mol, XLogP of 17.50, 46 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane is sourced from PubChem (CID 159751289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).