ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol

C17H35NO6 — CID 174733730

IUPACethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1.CCO.O=C(O)CCCCC(=O)O
InChIInChI=1S/C9H19NO.C6H10O4.C2H6O/c1-8(2)5-7(11)6-9(3,4)10-8;7-5(8)3-1-2-4-6(9)10;1-2-3/h7,10-11H,5-6H2,1-4H3;1-4H2,(H,7,8)(H,9,10);3H,2H2,1H3
InChIKeyMLUZGDFSDCTSQH-UHFFFAOYSA-N
MW349.47 g/mol
LogP2.00
Rot. Bonds5

About ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol

ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 174733730) has the molecular formula C17H35NO6 and a molecular weight of 349.47 g/mol. Its IUPAC name is ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Nameethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID174733730
Molecular FormulaC17H35NO6
Molecular Weight349.47 g/mol
Exact Mass349.25
IUPAC Nameethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1.CCO.O=C(O)CCCCC(=O)O
InChIInChI=1S/C9H19NO.C6H10O4.C2H6O/c1-8(2)5-7(11)6-9(3,4)10-8;7-5(8)3-1-2-4-6(9)10;1-2-3/h7,10-11H,5-6H2,1-4H3;1-4H2,(H,7,8)(H,9,10);3H,2H2,1H3
InChIKeyMLUZGDFSDCTSQH-UHFFFAOYSA-N
XLogP2.00
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 52.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
10-oxo-10-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]decanoic acid
CID 11638683
N-butylbutan-1-amine;ethanol;2,2,6,6-tetramethylpiperidin-4-ol
CID 174840743
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptanedioic acid
CID 21293230
butane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol
CID 68630296
5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanoic acid
CID 3133160
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)nonanedioic acid
CID 21293228
azane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
CID 118368680
ethoxyethane;2,2,6,6-tetramethylpiperidin-4-ol
CID 70484371
hexadecanoic acid;2,2,6,6-tetramethylpiperidine
CID 175009118
nitrous acid;2,2,6,6-tetramethylpiperidin-4-ol
CID 160812062
3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid
CID 67448789

Frequently Asked Questions

What is the IUPAC name of ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol (CID 174733730) is ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol is CC1(C)CC(O)CC(C)(C)N1.CCO.O=C(O)CCCCC(=O)O.
What is the InChIKey of ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is MLUZGDFSDCTSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C6H10O4.C2H6O/c1-8(2)5-7(11)6-9(3,4)10-8;7-5(8)3-1-2-4-6(9)10;1-2-3/h7,10-11H,5-6H2,1-4H3;1-4H2,(H,7,8)(H,9,10);3H,2H2,1H3.
What are the key properties of ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol?
ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 349.47 g/mol, XLogP of 2.00, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 174733730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).