methanamine;methyl (5Z,11Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,11-dienoate;methyl 16-(3-ethyloxiran-2-yl)hexadecanoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-5-enoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-11-enoate;molecular oxygen

C85H157NO14 — CID 157123648

IUPACmethanamine;methyl (5Z,11Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,11-dienoate;methyl 16-(3-ethyloxiran-2-yl)hexadecanoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-5-enoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-11-enoate;molecular oxygen
SMILESCCC1OC1CCCC/C=C\CCCC/C=C\CCCC(=O)OC.CCC1OC1CCCC/C=C\CCCCCCCCCC(=O)OC.CCC1OC1CCCCCCCCCC/C=C\CCCC(=O)OC.CCC1OC1CCCCCCCCCCCCCCCC(=O)OC.CN.O=O
InChIInChI=1S/C21H40O3.2C21H38O3.C21H36O3.CH5N.O2/c4*1-3-19-20(24-19)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21(22)23-2;2*1-2/h19-20H,3-18H2,1-2H3;10,12,19-20H,3-9,11,13-18H2,1-2H3;7,9,19-20H,3-6,8,10-18H2,1-2H3;7,9-10,12,19-20H,3-6,8,11,13-18H2,1-2H3;2H2,1H3;/b;12-10-;9-7-;9-7-,12-10-;;
InChIKeyAIGMWZQJLVEQTL-WCVVAPQVSA-N
MW1417.18 g/mol
LogP23.50
Rot. Bonds64

About methanamine;methyl (5Z,11Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,11-dienoate;methyl 16-(3-ethyloxiran-2-yl)hexadecanoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-5-enoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-11-enoate;molecular oxygen

methanamine;methyl (5Z,11Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,11-dienoate;methyl 16-(3-ethyloxiran-2-yl)hexadecanoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-5-enoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-11-enoate;molecular oxygen (PubChem CID 157123648) has the molecular formula C85H157NO14 and a molecular weight of 1417.18 g/mol. Its IUPAC name is methanamine;methyl (5Z,11Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,11-dienoate;methyl 16-(3-ethyloxiran-2-yl)hexadecanoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-5-enoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-11-enoate;molecular oxygen.

Molecular Properties

Compound Namemethanamine;methyl (5Z,11Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,11-dienoate;methyl 16-(3-ethyloxiran-2-yl)hexadecanoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-5-enoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-11-enoate;molecular oxygen
PubChem CID157123648
Molecular FormulaC85H157NO14
Molecular Weight1417.18 g/mol
Exact Mass1416.16
IUPAC Namemethanamine;methyl (5Z,11Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,11-dienoate;methyl 16-(3-ethyloxiran-2-yl)hexadecanoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-5-enoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-11-enoate;molecular oxygen
SMILESCCC1OC1CCCC/C=C\CCCC/C=C\CCCC(=O)OC.CCC1OC1CCCC/C=C\CCCCCCCCCC(=O)OC.CCC1OC1CCCCCCCCCC/C=C\CCCC(=O)OC.CCC1OC1CCCCCCCCCCCCCCCC(=O)OC.CN.O=O
InChIInChI=1S/C21H40O3.2C21H38O3.C21H36O3.CH5N.O2/c4*1-3-19-20(24-19)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21(22)23-2;2*1-2/h19-20H,3-18H2,1-2H3;10,12,19-20H,3-9,11,13-18H2,1-2H3;7,9,19-20H,3-6,8,10-18H2,1-2H3;7,9-10,12,19-20H,3-6,8,11,13-18H2,1-2H3;2H2,1H3;/b;12-10-;9-7-;9-7-,12-10-;;
InChIKeyAIGMWZQJLVEQTL-WCVVAPQVSA-N
XLogP23.50
TPSA215.48 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds64
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001417.18
LogP ≤ 523.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze methanamine;methyl (5Z,11Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,11-dienoate;methyl 16-(3-ethyloxiran-2-yl)hexadecanoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-5-enoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-11-enoate;molecular oxygen with MolForge

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Related Compounds

methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-8-enoate
CID 87560636
methyl 16-[(2S,3R)-3-ethyloxiran-2-yl]hexadecanoate
CID 53309116
methyl 16-(3-ethyloxiran-2-yl)hexadeca-8,14-dienoate
CID 90971635
methane;methyl 16-(3-ethyloxiran-2-yl)hexadeca-5,11-diynoate;methyl (Z)-icos-17-en-5,11-diynoate
CID 158013604
methyl 14-(3-ethyloxiran-2-yl)tetradeca-9,12-dienoate
CID 78382159
methyl 12-[3-(12-methoxy-12-oxododecyl)oxiran-2-yl]dodecanoate
CID 101103318
methyl 16-(3-ethyloxiran-2-yl)hexadec-2-enoate
CID 91319160
methyl (5E,8E,11E)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoate
CID 13049246
methyl (Z)-octadec-15-enoate
CID 12963319
dimethyl (E)-triacont-15-enedioate
CID 10767955
[(Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoyl]oxymethyl (Z)-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-9-enoate
CID 88567199
methyl 9-[(2R,3R)-3-[(1E,5Z)-octa-1,5-dienyl]oxiran-2-yl]nonanoate
CID 11976915

Frequently Asked Questions

What is the IUPAC name of methanamine;methyl (5Z,11Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,11-dienoate;methyl 16-(3-ethyloxiran-2-yl)hexadecanoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-5-enoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-11-enoate;molecular oxygen?
The IUPAC name of methanamine;methyl (5Z,11Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,11-dienoate;methyl 16-(3-ethyloxiran-2-yl)hexadecanoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-5-enoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-11-enoate;molecular oxygen (CID 157123648) is methanamine;methyl (5Z,11Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,11-dienoate;methyl 16-(3-ethyloxiran-2-yl)hexadecanoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-5-enoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-11-enoate;molecular oxygen.
What is the SMILES notation for methanamine;methyl (5Z,11Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,11-dienoate;methyl 16-(3-ethyloxiran-2-yl)hexadecanoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-5-enoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-11-enoate;molecular oxygen?
The canonical SMILES for methanamine;methyl (5Z,11Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,11-dienoate;methyl 16-(3-ethyloxiran-2-yl)hexadecanoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-5-enoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-11-enoate;molecular oxygen is CCC1OC1CCCC/C=C\CCCC/C=C\CCCC(=O)OC.CCC1OC1CCCC/C=C\CCCCCCCCCC(=O)OC.CCC1OC1CCCCCCCCCC/C=C\CCCC(=O)OC.CCC1OC1CCCCCCCCCCCCCCCC(=O)OC.CN.O=O.
What is the InChIKey of methanamine;methyl (5Z,11Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,11-dienoate;methyl 16-(3-ethyloxiran-2-yl)hexadecanoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-5-enoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-11-enoate;molecular oxygen?
The InChIKey is AIGMWZQJLVEQTL-WCVVAPQVSA-N. The full InChI is InChI=1S/C21H40O3.2C21H38O3.C21H36O3.CH5N.O2/c4*1-3-19-20(24-19)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21(22)23-2;2*1-2/h19-20H,3-18H2,1-2H3;10,12,19-20H,3-9,11,13-18H2,1-2H3;7,9,19-20H,3-6,8,10-18H2,1-2H3;7,9-10,12,19-20H,3-6,8,11,13-18H2,1-2H3;2H2,1H3;/b;12-10-;9-7-;9-7-,12-10-;;.
What are the key properties of methanamine;methyl (5Z,11Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,11-dienoate;methyl 16-(3-ethyloxiran-2-yl)hexadecanoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-5-enoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-11-enoate;molecular oxygen?
methanamine;methyl (5Z,11Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,11-dienoate;methyl 16-(3-ethyloxiran-2-yl)hexadecanoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-5-enoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-11-enoate;molecular oxygen has a molecular weight of 1417.18 g/mol, XLogP of 23.50, 64 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;methyl (5Z,11Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,11-dienoate;methyl 16-(3-ethyloxiran-2-yl)hexadecanoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-5-enoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-11-enoate;molecular oxygen is sourced from PubChem (CID 157123648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).