acetaldehyde;N,N-dimethylmethanamine;(E)-5-fluoro-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene;propane

C30H60FNO — CID 145235167

IUPACacetaldehyde;N,N-dimethylmethanamine;(E)-5-fluoro-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene;propane
SMILESC=C(/C=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)CC)CC.CC=O.CCC.CN(C)C
InChIInChI=1S/C22H39F.C3H9N.C3H8.C2H4O/c1-9-16(3)11-12-18(5)19(6)13-14-20(7)21(8)22(23)15-17(4)10-2;1-4(2)3;1-3-2;1-2-3/h15-16,18-20H,4,8-14H2,1-3,5-7H3;1-3H3;3H2,1-2H3;2H,1H3/b22-15+;;;
InChIKeyFTKBAUZFZUCRGD-MEUQDVFNSA-N
MW469.81 g/mol
LogP9.68
Rot. Bonds12

About acetaldehyde;N,N-dimethylmethanamine;(E)-5-fluoro-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene;propane

acetaldehyde;N,N-dimethylmethanamine;(E)-5-fluoro-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene;propane (PubChem CID 145235167) has the molecular formula C30H60FNO and a molecular weight of 469.81 g/mol. Its IUPAC name is acetaldehyde;N,N-dimethylmethanamine;(E)-5-fluoro-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene;propane.

Molecular Properties

Compound Nameacetaldehyde;N,N-dimethylmethanamine;(E)-5-fluoro-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene;propane
PubChem CID145235167
Molecular FormulaC30H60FNO
Molecular Weight469.81 g/mol
Exact Mass469.47
IUPAC Nameacetaldehyde;N,N-dimethylmethanamine;(E)-5-fluoro-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene;propane
SMILESC=C(/C=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)CC)CC.CC=O.CCC.CN(C)C
InChIInChI=1S/C22H39F.C3H9N.C3H8.C2H4O/c1-9-16(3)11-12-18(5)19(6)13-14-20(7)21(8)22(23)15-17(4)10-2;1-4(2)3;1-3-2;1-2-3/h15-16,18-20H,4,8-14H2,1-3,5-7H3;1-3H3;3H2,1-2H3;2H,1H3/b22-15+;;;
InChIKeyFTKBAUZFZUCRGD-MEUQDVFNSA-N
XLogP9.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.81
LogP ≤ 59.68
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'}

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Related Compounds

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
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;(4E,8E,12Z)-5,8-difluoro-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;N-methylmethanamine;propane
CID 145235188

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N,N-dimethylmethanamine;(E)-5-fluoro-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene;propane?
The IUPAC name of acetaldehyde;N,N-dimethylmethanamine;(E)-5-fluoro-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene;propane (CID 145235167) is acetaldehyde;N,N-dimethylmethanamine;(E)-5-fluoro-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene;propane.
What is the SMILES notation for acetaldehyde;N,N-dimethylmethanamine;(E)-5-fluoro-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene;propane?
The canonical SMILES for acetaldehyde;N,N-dimethylmethanamine;(E)-5-fluoro-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene;propane is C=C(/C=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)CC)CC.CC=O.CCC.CN(C)C.
What is the InChIKey of acetaldehyde;N,N-dimethylmethanamine;(E)-5-fluoro-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene;propane?
The InChIKey is FTKBAUZFZUCRGD-MEUQDVFNSA-N. The full InChI is InChI=1S/C22H39F.C3H9N.C3H8.C2H4O/c1-9-16(3)11-12-18(5)19(6)13-14-20(7)21(8)22(23)15-17(4)10-2;1-4(2)3;1-3-2;1-2-3/h15-16,18-20H,4,8-14H2,1-3,5-7H3;1-3H3;3H2,1-2H3;2H,1H3/b22-15+;;;.
What are the key properties of acetaldehyde;N,N-dimethylmethanamine;(E)-5-fluoro-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene;propane?
acetaldehyde;N,N-dimethylmethanamine;(E)-5-fluoro-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene;propane has a molecular weight of 469.81 g/mol, XLogP of 9.68, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N,N-dimethylmethanamine;(E)-5-fluoro-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene;propane is sourced from PubChem (CID 145235167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).