CID 140704439

C30H54N2O6 — CID 140704439

IUPAC—
SMILESCCC(CCCCCCCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1)C(=O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C30H54N2O6/c1-10-22(26(34)38-24-20-29(6,7)32(36)30(8,9)21-24)16-14-12-11-13-15-17-25(33)37-23-18-27(2,3)31(35)28(4,5)19-23/h22-24H,10-21H2,1-9H3
InChIKeyFFWZOKALEGPQPO-UHFFFAOYSA-N
MW538.77 g/mol
LogP6.56
Rot. Bonds12

About CID 140704439

CID 140704439 (PubChem CID 140704439) has the molecular formula C30H54N2O6 and a molecular weight of 538.77 g/mol.

Molecular Properties

Compound NameCID 140704439
PubChem CID140704439
Molecular FormulaC30H54N2O6
Molecular Weight538.77 g/mol
Exact Mass538.40
IUPAC Name—
SMILESCCC(CCCCCCCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1)C(=O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C30H54N2O6/c1-10-22(26(34)38-24-20-29(6,7)32(36)30(8,9)21-24)16-14-12-11-13-15-17-25(33)37-23-18-27(2,3)31(35)28(4,5)19-23/h22-24H,10-21H2,1-9H3
InChIKeyFFWZOKALEGPQPO-UHFFFAOYSA-N
XLogP6.56
TPSA98.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.77
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate
CID 159805221
CID 101128218
CID 101128218
10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate
CID 122433569
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate
CID 166830264
CID 162782070
CID 162782070
bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 141285450
CID 102455717
CID 102455717
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 172808816
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methyldecanedioate
CID 118137040
[1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium
CID 153184887

Frequently Asked Questions

What is the IUPAC name of CID 140704439?
The IUPAC name of CID 140704439 (CID 140704439) is not available.
What is the SMILES notation for CID 140704439?
The canonical SMILES for CID 140704439 is CCC(CCCCCCCC(=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 140704439?
The InChIKey is FFWZOKALEGPQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54N2O6/c1-10-22(26(34)38-24-20-29(6,7)32(36)30(8,9)21-24)16-14-12-11-13-15-17-25(33)37-23-18-27(2,3)31(35)28(4,5)19-23/h22-24H,10-21H2,1-9H3.
What are the key properties of CID 140704439?
CID 140704439 has a molecular weight of 538.77 g/mol, XLogP of 6.56, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140704439 is sourced from PubChem (CID 140704439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).