methoxymethane;1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate

C31H56N2O8 — CID 144808992

IUPACmethoxymethane;1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate
SMILESCOC.COC(=O)CC(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(CC=O)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C29H50N2O7.C2H6O/c1-26(2)15-19(16-27(3,4)30(26)9)37-24(34)21(12-13-32)22(14-23(33)36-11)25(35)38-20-17-28(5,6)31(10)29(7,8)18-20;1-3-2/h13,19-22H,12,14-18H2,1-11H3;1-2H3
InChIKeyIDXXUYFESDLVAT-UHFFFAOYSA-N
MW584.80 g/mol
LogP4.02
Rot. Bonds9

About methoxymethane;1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate

methoxymethane;1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate (PubChem CID 144808992) has the molecular formula C31H56N2O8 and a molecular weight of 584.80 g/mol. Its IUPAC name is methoxymethane;1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate.

Molecular Properties

Compound Namemethoxymethane;1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate
PubChem CID144808992
Molecular FormulaC31H56N2O8
Molecular Weight584.80 g/mol
Exact Mass584.40
IUPAC Namemethoxymethane;1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate
SMILESCOC.COC(=O)CC(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(CC=O)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C29H50N2O7.C2H6O/c1-26(2)15-19(16-27(3,4)30(26)9)37-24(34)21(12-13-32)22(14-23(33)36-11)25(35)38-20-17-28(5,6)31(10)29(7,8)18-20;1-3-2/h13,19-22H,12,14-18H2,1-11H3;1-2H3
InChIKeyIDXXUYFESDLVAT-UHFFFAOYSA-N
XLogP4.02
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.80
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze methoxymethane;1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate with MolForge

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Related Compounds

1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate
CID 144808993
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate
CID 163506972
tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-hydroxy-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypentane-1,2,3-tricarboxylate
CID 126536363
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate
CID 18715866
4-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbutanedioate
CID 118137042
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate
CID 167105370
4-O-methyl 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-diazobutanedioate
CID 102089804
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-hydroxy-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate
CID 129281730
1-O-ethyl 4-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) but-2-enedioate
CID 54340280
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate
CID 54002279

Frequently Asked Questions

What is the IUPAC name of methoxymethane;1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate?
The IUPAC name of methoxymethane;1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate (CID 144808992) is methoxymethane;1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate.
What is the SMILES notation for methoxymethane;1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate?
The canonical SMILES for methoxymethane;1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate is COC.COC(=O)CC(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(CC=O)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of methoxymethane;1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate?
The InChIKey is IDXXUYFESDLVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H50N2O7.C2H6O/c1-26(2)15-19(16-27(3,4)30(26)9)37-24(34)21(12-13-32)22(14-23(33)36-11)25(35)38-20-17-28(5,6)31(10)29(7,8)18-20;1-3-2/h13,19-22H,12,14-18H2,1-11H3;1-2H3.
What are the key properties of methoxymethane;1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate?
methoxymethane;1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate has a molecular weight of 584.80 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate is sourced from PubChem (CID 144808992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).