hexyl 2-octyldecanoate;2-[5-[2-[2-[6-(2-octyldecanoyloxy)hexoxy]propoxy]ethoxy]pentoxy]ethyl 1,4-dimethylpiperidine-4-carboxylate;uranium(2+)

C68H131NO10U — CID 168985511

IUPAChexyl 2-octyldecanoate;2-[5-[2-[2-[6-(2-octyldecanoyloxy)hexoxy]propoxy]ethoxy]pentoxy]ethyl 1,4-dimethylpiperidine-4-carboxylate;uranium(2+)
SMILES[CH2-]C(COCCOCCCCCOCCOC(=O)C1(C)CCN(C)CC1)OCCCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.[CH2-]CCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.[U+2]
InChIInChI=1S/C44H84NO8.C24H47O2.U/c1-6-8-10-12-14-19-25-41(26-20-15-13-11-9-7-2)42(46)52-34-24-17-16-23-33-51-40(3)39-50-36-35-48-31-21-18-22-32-49-37-38-53-43(47)44(4)27-29-45(5)30-28-44;1-4-7-10-13-15-17-20-23(21-18-16-14-11-8-5-2)24(25)26-22-19-12-9-6-3;/h40-41H,3,6-39H2,1-2,4-5H3;23H,3-22H2,1-2H3;/q2*-1;+2
InChIKeyGHQQKZQCOZUZND-UHFFFAOYSA-N
MW1360.82 g/mol
LogP17.96
Rot. Bonds58

About hexyl 2-octyldecanoate;2-[5-[2-[2-[6-(2-octyldecanoyloxy)hexoxy]propoxy]ethoxy]pentoxy]ethyl 1,4-dimethylpiperidine-4-carboxylate;uranium(2+)

hexyl 2-octyldecanoate;2-[5-[2-[2-[6-(2-octyldecanoyloxy)hexoxy]propoxy]ethoxy]pentoxy]ethyl 1,4-dimethylpiperidine-4-carboxylate;uranium(2+) (PubChem CID 168985511) has the molecular formula C68H131NO10U and a molecular weight of 1360.82 g/mol. Its IUPAC name is hexyl 2-octyldecanoate;2-[5-[2-[2-[6-(2-octyldecanoyloxy)hexoxy]propoxy]ethoxy]pentoxy]ethyl 1,4-dimethylpiperidine-4-carboxylate;uranium(2+).

Molecular Properties

Compound Namehexyl 2-octyldecanoate;2-[5-[2-[2-[6-(2-octyldecanoyloxy)hexoxy]propoxy]ethoxy]pentoxy]ethyl 1,4-dimethylpiperidine-4-carboxylate;uranium(2+)
PubChem CID168985511
Molecular FormulaC68H131NO10U
Molecular Weight1360.82 g/mol
Exact Mass1360.03
IUPAC Namehexyl 2-octyldecanoate;2-[5-[2-[2-[6-(2-octyldecanoyloxy)hexoxy]propoxy]ethoxy]pentoxy]ethyl 1,4-dimethylpiperidine-4-carboxylate;uranium(2+)
SMILES[CH2-]C(COCCOCCCCCOCCOC(=O)C1(C)CCN(C)CC1)OCCCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.[CH2-]CCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.[U+2]
InChIInChI=1S/C44H84NO8.C24H47O2.U/c1-6-8-10-12-14-19-25-41(26-20-15-13-11-9-7-2)42(46)52-34-24-17-16-23-33-51-40(3)39-50-36-35-48-31-21-18-22-32-49-37-38-53-43(47)44(4)27-29-45(5)30-28-44;1-4-7-10-13-15-17-20-23(21-18-16-14-11-8-5-2)24(25)26-22-19-12-9-6-3;/h40-41H,3,6-39H2,1-2,4-5H3;23H,3-22H2,1-2H3;/q2*-1;+2
InChIKeyGHQQKZQCOZUZND-UHFFFAOYSA-N
XLogP17.96
TPSA119.06 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds58
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001360.82
LogP ≤ 517.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze hexyl 2-octyldecanoate;2-[5-[2-[2-[6-(2-octyldecanoyloxy)hexoxy]propoxy]ethoxy]pentoxy]ethyl 1,4-dimethylpiperidine-4-carboxylate;uranium(2+) with MolForge

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Related Compounds

[13-(2-butylhexanoyloxy)-7-[2-(4-hydroxy-1-methylpiperidin-4-yl)acetyl]oxytridecyl] 2-butylhexanoate
CID 176726443
octyl 2-butyldocosanoate
CID 174740469
6-[4-[6-(2-hexyldecanoyloxy)hexyl]piperazin-1-yl]hexyl 2-hexyldecanoate
CID 175667480
octyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanoate
CID 174785612
decyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]octanoate
CID 174785591
decyl 2-hexyltetradecanoate
CID 57466026
germane;pentyl 2-pentylheptanoate
CID 173457558
decyl 2-hexylpentadecanoate
CID 175318740
tridecyl 2-hexadecylicosanoate
CID 159510432
decyl 2-octyltetradecanoate
CID 87368194
undecyl 2-heptyltridecanoate
CID 174740301
undecyl 2-heptyldodecanoate
CID 174658610

Frequently Asked Questions

What is the IUPAC name of hexyl 2-octyldecanoate;2-[5-[2-[2-[6-(2-octyldecanoyloxy)hexoxy]propoxy]ethoxy]pentoxy]ethyl 1,4-dimethylpiperidine-4-carboxylate;uranium(2+)?
The IUPAC name of hexyl 2-octyldecanoate;2-[5-[2-[2-[6-(2-octyldecanoyloxy)hexoxy]propoxy]ethoxy]pentoxy]ethyl 1,4-dimethylpiperidine-4-carboxylate;uranium(2+) (CID 168985511) is hexyl 2-octyldecanoate;2-[5-[2-[2-[6-(2-octyldecanoyloxy)hexoxy]propoxy]ethoxy]pentoxy]ethyl 1,4-dimethylpiperidine-4-carboxylate;uranium(2+).
What is the SMILES notation for hexyl 2-octyldecanoate;2-[5-[2-[2-[6-(2-octyldecanoyloxy)hexoxy]propoxy]ethoxy]pentoxy]ethyl 1,4-dimethylpiperidine-4-carboxylate;uranium(2+)?
The canonical SMILES for hexyl 2-octyldecanoate;2-[5-[2-[2-[6-(2-octyldecanoyloxy)hexoxy]propoxy]ethoxy]pentoxy]ethyl 1,4-dimethylpiperidine-4-carboxylate;uranium(2+) is [CH2-]C(COCCOCCCCCOCCOC(=O)C1(C)CCN(C)CC1)OCCCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.[CH2-]CCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.[U+2].
What is the InChIKey of hexyl 2-octyldecanoate;2-[5-[2-[2-[6-(2-octyldecanoyloxy)hexoxy]propoxy]ethoxy]pentoxy]ethyl 1,4-dimethylpiperidine-4-carboxylate;uranium(2+)?
The InChIKey is GHQQKZQCOZUZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H84NO8.C24H47O2.U/c1-6-8-10-12-14-19-25-41(26-20-15-13-11-9-7-2)42(46)52-34-24-17-16-23-33-51-40(3)39-50-36-35-48-31-21-18-22-32-49-37-38-53-43(47)44(4)27-29-45(5)30-28-44;1-4-7-10-13-15-17-20-23(21-18-16-14-11-8-5-2)24(25)26-22-19-12-9-6-3;/h40-41H,3,6-39H2,1-2,4-5H3;23H,3-22H2,1-2H3;/q2*-1;+2.
What are the key properties of hexyl 2-octyldecanoate;2-[5-[2-[2-[6-(2-octyldecanoyloxy)hexoxy]propoxy]ethoxy]pentoxy]ethyl 1,4-dimethylpiperidine-4-carboxylate;uranium(2+)?
hexyl 2-octyldecanoate;2-[5-[2-[2-[6-(2-octyldecanoyloxy)hexoxy]propoxy]ethoxy]pentoxy]ethyl 1,4-dimethylpiperidine-4-carboxylate;uranium(2+) has a molecular weight of 1360.82 g/mol, XLogP of 17.96, 58 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-octyldecanoate;2-[5-[2-[2-[6-(2-octyldecanoyloxy)hexoxy]propoxy]ethoxy]pentoxy]ethyl 1,4-dimethylpiperidine-4-carboxylate;uranium(2+) is sourced from PubChem (CID 168985511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).