CID 140891545

C36H66N2O7 — CID 140891545

IUPAC—
SMILESCCCCCCCCCCCC(CCCOC)(C(=O)OC1CC(C)(C)N([O])C(C)(C)C1)C(=O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C36H66N2O7/c1-11-12-13-14-15-16-17-18-19-21-36(22-20-23-43-10,30(39)44-28-24-32(2,3)37(41)33(4,5)25-28)31(40)45-29-26-34(6,7)38(42)35(8,9)27-29/h28-29H,11-27H2,1-10H3
InChIKeyHHMYDMBOWDSAEP-UHFFFAOYSA-N
MW638.93 g/mol
LogP8.14
Rot. Bonds18

About CID 140891545

CID 140891545 (PubChem CID 140891545) has the molecular formula C36H66N2O7 and a molecular weight of 638.93 g/mol.

Molecular Properties

Compound NameCID 140891545
PubChem CID140891545
Molecular FormulaC36H66N2O7
Molecular Weight638.93 g/mol
Exact Mass638.49
IUPAC Name—
SMILESCCCCCCCCCCCC(CCCOC)(C(=O)OC1CC(C)(C)N([O])C(C)(C)C1)C(=O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C36H66N2O7/c1-11-12-13-14-15-16-17-18-19-21-36(22-20-23-43-10,30(39)44-28-24-32(2,3)37(41)33(4,5)25-28)31(40)45-29-26-34(6,7)38(42)35(8,9)27-29/h28-29H,11-27H2,1-10H3
InChIKeyHHMYDMBOWDSAEP-UHFFFAOYSA-N
XLogP8.14
TPSA108.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.93
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate
CID 20512140
1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octoxy]-4-oxobutanoyl]oxypropyl]-2-butylpropanedioate
CID 135266139
bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate
CID 20512159
CID 170936784
CID 170936784
(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) 2-hydroxy-2-methyloctadecanoate
CID 67544387
CID 140891551
CID 140891551
CID 90849890
CID 90849890
CID 140891553
CID 140891553
bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate
CID 101102682
dimethyl 2,2-di(nonyl)propanedioate
CID 166760695
CID 102491560
CID 102491560
[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-2-methylhexanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 176948895

Frequently Asked Questions

What is the IUPAC name of CID 140891545?
The IUPAC name of CID 140891545 (CID 140891545) is not available.
What is the SMILES notation for CID 140891545?
The canonical SMILES for CID 140891545 is CCCCCCCCCCCC(CCCOC)(C(=O)OC1CC(C)(C)N([O])C(C)(C)C1)C(=O)OC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 140891545?
The InChIKey is HHMYDMBOWDSAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H66N2O7/c1-11-12-13-14-15-16-17-18-19-21-36(22-20-23-43-10,30(39)44-28-24-32(2,3)37(41)33(4,5)25-28)31(40)45-29-26-34(6,7)38(42)35(8,9)27-29/h28-29H,11-27H2,1-10H3.
What are the key properties of CID 140891545?
CID 140891545 has a molecular weight of 638.93 g/mol, XLogP of 8.14, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140891545 is sourced from PubChem (CID 140891545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).