acetaldehyde;N,N-dimethylmethanamine;(4Z,8E,12Z,15E)-8-fluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12,15-tetraene;propane

C36H58FNO — CID 145235027

IUPACacetaldehyde;N,N-dimethylmethanamine;(4Z,8E,12Z,15E)-8-fluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12,15-tetraene;propane
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C\C(=C)C(=C)/C=C\C(=C)/C(C)=C/CC(C)CC)CC.CC=O.CCC.CN(C)C
InChIInChI=1S/C28H37F.C3H9N.C3H8.C2H4O/c1-11-20(3)13-15-22(5)23(6)17-18-24(7)26(9)19-28(29)27(10)25(8)16-14-21(4)12-2;1-4(2)3;1-3-2;1-2-3/h14-20H,4,6-13H2,1-3,5H3;1-3H3;3H2,1-2H3;2H,1H3/b16-14-,18-17-,22-15+,28-19+;;;
InChIKeyWXRHOGZQVVMCJK-FRTPHLMBSA-N
MW539.86 g/mol
LogP10.88
Rot. Bonds13

About acetaldehyde;N,N-dimethylmethanamine;(4Z,8E,12Z,15E)-8-fluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12,15-tetraene;propane

acetaldehyde;N,N-dimethylmethanamine;(4Z,8E,12Z,15E)-8-fluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12,15-tetraene;propane (PubChem CID 145235027) has the molecular formula C36H58FNO and a molecular weight of 539.86 g/mol. Its IUPAC name is acetaldehyde;N,N-dimethylmethanamine;(4Z,8E,12Z,15E)-8-fluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12,15-tetraene;propane.

Molecular Properties

Compound Nameacetaldehyde;N,N-dimethylmethanamine;(4Z,8E,12Z,15E)-8-fluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12,15-tetraene;propane
PubChem CID145235027
Molecular FormulaC36H58FNO
Molecular Weight539.86 g/mol
Exact Mass539.45
IUPAC Nameacetaldehyde;N,N-dimethylmethanamine;(4Z,8E,12Z,15E)-8-fluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12,15-tetraene;propane
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C\C(=C)C(=C)/C=C\C(=C)/C(C)=C/CC(C)CC)CC.CC=O.CCC.CN(C)C
InChIInChI=1S/C28H37F.C3H9N.C3H8.C2H4O/c1-11-20(3)13-15-22(5)23(6)17-18-24(7)26(9)19-28(29)27(10)25(8)16-14-21(4)12-2;1-4(2)3;1-3-2;1-2-3/h14-20H,4,6-13H2,1-3,5H3;1-3H3;3H2,1-2H3;2H,1H3/b16-14-,18-17-,22-15+,28-19+;;;
InChIKeyWXRHOGZQVVMCJK-FRTPHLMBSA-N
XLogP10.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.86
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetaldehyde;N,N-dimethylmethanamine;(4Z,8E,12Z,15E)-8-fluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12,15-tetraene;propane with MolForge

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Related Compounds

acetaldehyde;N,N-dimethylmethanamine;(8Z,12Z)-9-ethyl-3,6,15,18-tetramethyl-7,10,11,14-tetramethylideneicosa-8,12-diene;propane
CID 145235041
acetaldehyde;N,N-dimethylmethanamine;ethene;(4Z,8E,12Z)-8-fluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene
CID 145235127
acetaldehyde;N,N-dimethylmethanamine;(E)-5-fluoro-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene;propane
CID 145235167

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N,N-dimethylmethanamine;(4Z,8E,12Z,15E)-8-fluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12,15-tetraene;propane?
The IUPAC name of acetaldehyde;N,N-dimethylmethanamine;(4Z,8E,12Z,15E)-8-fluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12,15-tetraene;propane (CID 145235027) is acetaldehyde;N,N-dimethylmethanamine;(4Z,8E,12Z,15E)-8-fluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12,15-tetraene;propane.
What is the SMILES notation for acetaldehyde;N,N-dimethylmethanamine;(4Z,8E,12Z,15E)-8-fluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12,15-tetraene;propane?
The canonical SMILES for acetaldehyde;N,N-dimethylmethanamine;(4Z,8E,12Z,15E)-8-fluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12,15-tetraene;propane is C=C(/C=C\C(=C)C(=C)/C(F)=C\C(=C)C(=C)/C=C\C(=C)/C(C)=C/CC(C)CC)CC.CC=O.CCC.CN(C)C.
What is the InChIKey of acetaldehyde;N,N-dimethylmethanamine;(4Z,8E,12Z,15E)-8-fluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12,15-tetraene;propane?
The InChIKey is WXRHOGZQVVMCJK-FRTPHLMBSA-N. The full InChI is InChI=1S/C28H37F.C3H9N.C3H8.C2H4O/c1-11-20(3)13-15-22(5)23(6)17-18-24(7)26(9)19-28(29)27(10)25(8)16-14-21(4)12-2;1-4(2)3;1-3-2;1-2-3/h14-20H,4,6-13H2,1-3,5H3;1-3H3;3H2,1-2H3;2H,1H3/b16-14-,18-17-,22-15+,28-19+;;;.
What are the key properties of acetaldehyde;N,N-dimethylmethanamine;(4Z,8E,12Z,15E)-8-fluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12,15-tetraene;propane?
acetaldehyde;N,N-dimethylmethanamine;(4Z,8E,12Z,15E)-8-fluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12,15-tetraene;propane has a molecular weight of 539.86 g/mol, XLogP of 10.88, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N,N-dimethylmethanamine;(4Z,8E,12Z,15E)-8-fluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12,15-tetraene;propane is sourced from PubChem (CID 145235027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).