6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane

C80H146N2O9 — CID 161061669

IUPAC6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane
SMILESC.C.CCCCCCCCCCC(O)CN1CC(CCCCCCCCCC)OC(=O)C1Cc1ccc(O)cc1.CCCCCCCCCCC(O)COc1ccc(CC2C(=O)OC(CCCCCCCCCC)CN2CC(O)CCCCCCCCCC)cc1
InChIInChI=1S/C45H81NO5.C33H57NO4.2CH4/c1-4-7-10-13-16-19-22-25-28-40(47)36-46-37-43(30-27-24-21-18-15-12-9-6-3)51-45(49)44(46)35-39-31-33-42(34-32-39)50-38-41(48)29-26-23-20-17-14-11-8-5-2;1-3-5-7-9-11-13-15-17-19-30(36)26-34-27-31(20-18-16-14-12-10-8-6-4-2)38-33(37)32(34)25-28-21-23-29(35)24-22-28;;/h31-34,40-41,43-44,47-48H,4-30,35-38H2,1-3H3;21-24,30-32,35-36H,3-20,25-27H2,1-2H3;2*1H4
InChIKeyUDMBBGKVGQTMII-UHFFFAOYSA-N
MW1280.05 g/mol
LogP20.74
Rot. Bonds56

About 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane

6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane (PubChem CID 161061669) has the molecular formula C80H146N2O9 and a molecular weight of 1280.05 g/mol. Its IUPAC name is 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane.

Molecular Properties

Compound Name6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane
PubChem CID161061669
Molecular FormulaC80H146N2O9
Molecular Weight1280.05 g/mol
Exact Mass1279.10
IUPAC Name6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane
SMILESC.C.CCCCCCCCCCC(O)CN1CC(CCCCCCCCCC)OC(=O)C1Cc1ccc(O)cc1.CCCCCCCCCCC(O)COc1ccc(CC2C(=O)OC(CCCCCCCCCC)CN2CC(O)CCCCCCCCCC)cc1
InChIInChI=1S/C45H81NO5.C33H57NO4.2CH4/c1-4-7-10-13-16-19-22-25-28-40(47)36-46-37-43(30-27-24-21-18-15-12-9-6-3)51-45(49)44(46)35-39-31-33-42(34-32-39)50-38-41(48)29-26-23-20-17-14-11-8-5-2;1-3-5-7-9-11-13-15-17-19-30(36)26-34-27-31(20-18-16-14-12-10-8-6-4-2)38-33(37)32(34)25-28-21-23-29(35)24-22-28;;/h31-34,40-41,43-44,47-48H,4-30,35-38H2,1-3H3;21-24,30-32,35-36H,3-20,25-27H2,1-2H3;2*1H4
InChIKeyUDMBBGKVGQTMII-UHFFFAOYSA-N
XLogP20.74
TPSA149.23 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds56
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001280.05
LogP ≤ 520.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane?
The IUPAC name of 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane (CID 161061669) is 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane.
What is the SMILES notation for 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane?
The canonical SMILES for 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane is C.C.CCCCCCCCCCC(O)CN1CC(CCCCCCCCCC)OC(=O)C1Cc1ccc(O)cc1.CCCCCCCCCCC(O)COc1ccc(CC2C(=O)OC(CCCCCCCCCC)CN2CC(O)CCCCCCCCCC)cc1.
What is the InChIKey of 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane?
The InChIKey is UDMBBGKVGQTMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H81NO5.C33H57NO4.2CH4/c1-4-7-10-13-16-19-22-25-28-40(47)36-46-37-43(30-27-24-21-18-15-12-9-6-3)51-45(49)44(46)35-39-31-33-42(34-32-39)50-38-41(48)29-26-23-20-17-14-11-8-5-2;1-3-5-7-9-11-13-15-17-19-30(36)26-34-27-31(20-18-16-14-12-10-8-6-4-2)38-33(37)32(34)25-28-21-23-29(35)24-22-28;;/h31-34,40-41,43-44,47-48H,4-30,35-38H2,1-3H3;21-24,30-32,35-36H,3-20,25-27H2,1-2H3;2*1H4.
What are the key properties of 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane?
6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane has a molecular weight of 1280.05 g/mol, XLogP of 20.74, 56 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane is sourced from PubChem (CID 161061669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).