2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioate

C46H86N2O6-2 — CID 18533682

IUPAC2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioate
SMILESCCCCCCCCCON1C(C)(C)CC(C(CCCCCCCC(=O)[O-])(C(=O)[O-])C2CC(C)(C)N(OCCCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C46H88N2O6/c1-11-13-15-17-19-24-28-32-53-47-42(3,4)34-38(35-43(47,5)6)46(41(51)52,31-27-23-21-22-26-30-40(49)50)39-36-44(7,8)48(45(9,10)37-39)54-33-29-25-20-18-16-14-12-2/h38-39H,11-37H2,1-10H3,(H,49,50)(H,51,52)/p-2
InChIKeyKAVFFNSAKKWADN-UHFFFAOYSA-L
MW763.20 g/mol
LogP10.11
Rot. Bonds29

About 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioate

2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioate (PubChem CID 18533682) has the molecular formula C46H86N2O6-2 and a molecular weight of 763.20 g/mol. Its IUPAC name is 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioate.

Molecular Properties

Compound Name2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioate
PubChem CID18533682
Molecular FormulaC46H86N2O6-2
Molecular Weight763.20 g/mol
Exact Mass762.65
IUPAC Name2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioate
SMILESCCCCCCCCCON1C(C)(C)CC(C(CCCCCCCC(=O)[O-])(C(=O)[O-])C2CC(C)(C)N(OCCCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C46H88N2O6/c1-11-13-15-17-19-24-28-32-53-47-42(3,4)34-38(35-43(47,5)6)46(41(51)52,31-27-23-21-22-26-30-40(49)50)39-36-44(7,8)48(45(9,10)37-39)54-33-29-25-20-18-16-14-12-2/h38-39H,11-37H2,1-10H3,(H,49,50)(H,51,52)/p-2
InChIKeyKAVFFNSAKKWADN-UHFFFAOYSA-L
XLogP10.11
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds29
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.20
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid
CID 157140421
2,2-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)decanedioate
CID 22598269
2,2-bis[2,2,6,6-tetramethyl-1-(phenylcarbamoyloxy)piperidin-4-yl]decanedioate
CID 19892333
4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 156550746
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid
CID 155213134
2,2,6,6-tetramethyl-1-octoxypiperidin-4-ol
CID 11346683
2,2,6,6-tetramethyl-1-undecoxypiperidin-4-ol
CID 23159798
ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 143602726
(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) 2-hydroxy-2-methyloctadecanoate
CID 67544387
bis(2,2,6,6-tetrakis-decyl-1-octoxypiperidin-4-yl) decanedioate
CID 150064003
4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide
CID 139642514

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioate?
The IUPAC name of 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioate (CID 18533682) is 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioate.
What is the SMILES notation for 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioate?
The canonical SMILES for 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioate is CCCCCCCCCON1C(C)(C)CC(C(CCCCCCCC(=O)[O-])(C(=O)[O-])C2CC(C)(C)N(OCCCCCCCCC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioate?
The InChIKey is KAVFFNSAKKWADN-UHFFFAOYSA-L. The full InChI is InChI=1S/C46H88N2O6/c1-11-13-15-17-19-24-28-32-53-47-42(3,4)34-38(35-43(47,5)6)46(41(51)52,31-27-23-21-22-26-30-40(49)50)39-36-44(7,8)48(45(9,10)37-39)54-33-29-25-20-18-16-14-12-2/h38-39H,11-37H2,1-10H3,(H,49,50)(H,51,52)/p-2.
What are the key properties of 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioate?
2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioate has a molecular weight of 763.20 g/mol, XLogP of 10.11, 29 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioate is sourced from PubChem (CID 18533682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).