dodec-1-ene;ethene;1-methyl-2,2-dioctyl-1-prop-1-en-2-ylhydrazine;9-methylheptadecane

C52H108N2 — CID 142497779

IUPACdodec-1-ene;ethene;1-methyl-2,2-dioctyl-1-prop-1-en-2-ylhydrazine;9-methylheptadecane
SMILESC=C.C=C(C)N(C)N(CCCCCCCC)CCCCCCCC.C=CCCCCCCCCCC.CCCCCCCCC(C)CCCCCCCC
InChIInChI=1S/C20H42N2.C18H38.C12H24.C2H4/c1-6-8-10-12-14-16-18-22(21(5)20(3)4)19-17-15-13-11-9-7-2;1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;1-3-5-7-9-11-12-10-8-6-4-2;1-2/h3,6-19H2,1-2,4-5H3;18H,4-17H2,1-3H3;3H,1,4-12H2,2H3;1-2H2
InChIKeyLKNQSLZAQKXZER-UHFFFAOYSA-N
MW761.45 g/mol
LogP19.02
Rot. Bonds39

About dodec-1-ene;ethene;1-methyl-2,2-dioctyl-1-prop-1-en-2-ylhydrazine;9-methylheptadecane

dodec-1-ene;ethene;1-methyl-2,2-dioctyl-1-prop-1-en-2-ylhydrazine;9-methylheptadecane (PubChem CID 142497779) has the molecular formula C52H108N2 and a molecular weight of 761.45 g/mol. Its IUPAC name is dodec-1-ene;ethene;1-methyl-2,2-dioctyl-1-prop-1-en-2-ylhydrazine;9-methylheptadecane.

Molecular Properties

Compound Namedodec-1-ene;ethene;1-methyl-2,2-dioctyl-1-prop-1-en-2-ylhydrazine;9-methylheptadecane
PubChem CID142497779
Molecular FormulaC52H108N2
Molecular Weight761.45 g/mol
Exact Mass760.85
IUPAC Namedodec-1-ene;ethene;1-methyl-2,2-dioctyl-1-prop-1-en-2-ylhydrazine;9-methylheptadecane
SMILESC=C.C=C(C)N(C)N(CCCCCCCC)CCCCCCCC.C=CCCCCCCCCCC.CCCCCCCCC(C)CCCCCCCC
InChIInChI=1S/C20H42N2.C18H38.C12H24.C2H4/c1-6-8-10-12-14-16-18-22(21(5)20(3)4)19-17-15-13-11-9-7-2;1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;1-3-5-7-9-11-12-10-8-6-4-2;1-2/h3,6-19H2,1-2,4-5H3;18H,4-17H2,1-3H3;3H,1,4-12H2,2H3;1-2H2
InChIKeyLKNQSLZAQKXZER-UHFFFAOYSA-N
XLogP19.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds39
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.45
LogP ≤ 519.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1-[9-(3-methylbutyl)-azacycloheptadec-1-yl]-1-azacycloheptadec-9-ene
CID 57243856
(Z)-1-(ethenyldiazenyl)-3-hexyl-N,N-dimethylnon-1-en-2-amine
CID 132011704
N-but-1-en-2-yl-11-methyl-N-[(E)-nonadec-10-enyl]nonadecan-1-amine
CID 134388044
N-(3-ethenyl-2,4,5-trimethylheptyl)-N-methyltridec-1-en-2-amine
CID 139317301
ethene;N-hexadecyl-2-methylidene-N-octylpyrrolidin-1-amine;9-methylheptadecane;propane
CID 142378839
1-Dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane
CID 142475689
5-ethenyl-4-hepta-2,3-dien-4-yl-N-hept-1-en-2-yl-8-methyl-N-propylnonan-1-amine
CID 146593464
1-Dec-1-en-2-yl-1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-2,2-dimethylhydrazine
CID 155358460
1-(21-Hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine
CID 155485635
1-[(2S)-3-ethenyl-6-methylnonan-2-yl]-2-methyl-1-prop-1-en-2-ylhydrazine
CID 156036004
N'-(23-hexyl-2-methylnonacos-1-en-11-yl)-N,N-dimethyl-N'-non-1-en-2-ylpropane-1,3-diamine
CID 156315790
22-butyl-N-dec-1-en-2-yl-N-methyl-19-methylideneoctacosan-10-amine;5-butylundec-1-ene
CID 157043270

Frequently Asked Questions

What is the IUPAC name of dodec-1-ene;ethene;1-methyl-2,2-dioctyl-1-prop-1-en-2-ylhydrazine;9-methylheptadecane?
The IUPAC name of dodec-1-ene;ethene;1-methyl-2,2-dioctyl-1-prop-1-en-2-ylhydrazine;9-methylheptadecane (CID 142497779) is dodec-1-ene;ethene;1-methyl-2,2-dioctyl-1-prop-1-en-2-ylhydrazine;9-methylheptadecane.
What is the SMILES notation for dodec-1-ene;ethene;1-methyl-2,2-dioctyl-1-prop-1-en-2-ylhydrazine;9-methylheptadecane?
The canonical SMILES for dodec-1-ene;ethene;1-methyl-2,2-dioctyl-1-prop-1-en-2-ylhydrazine;9-methylheptadecane is C=C.C=C(C)N(C)N(CCCCCCCC)CCCCCCCC.C=CCCCCCCCCCC.CCCCCCCCC(C)CCCCCCCC.
What is the InChIKey of dodec-1-ene;ethene;1-methyl-2,2-dioctyl-1-prop-1-en-2-ylhydrazine;9-methylheptadecane?
The InChIKey is LKNQSLZAQKXZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2.C18H38.C12H24.C2H4/c1-6-8-10-12-14-16-18-22(21(5)20(3)4)19-17-15-13-11-9-7-2;1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;1-3-5-7-9-11-12-10-8-6-4-2;1-2/h3,6-19H2,1-2,4-5H3;18H,4-17H2,1-3H3;3H,1,4-12H2,2H3;1-2H2.
What are the key properties of dodec-1-ene;ethene;1-methyl-2,2-dioctyl-1-prop-1-en-2-ylhydrazine;9-methylheptadecane?
dodec-1-ene;ethene;1-methyl-2,2-dioctyl-1-prop-1-en-2-ylhydrazine;9-methylheptadecane has a molecular weight of 761.45 g/mol, XLogP of 19.02, 39 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-1-ene;ethene;1-methyl-2,2-dioctyl-1-prop-1-en-2-ylhydrazine;9-methylheptadecane is sourced from PubChem (CID 142497779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).