methanol;methyl hypofluorite;18-[methyl(propyl)amino]icosa-18,19-dienal

C26H52FNO3 — CID 143291289

IUPACmethanol;methyl hypofluorite;18-[methyl(propyl)amino]icosa-18,19-dienal
SMILESC=C=C(CCCCCCCCCCCCCCCCC=O)N(C)CCC.CO.COF
InChIInChI=1S/C24H45NO.CH3FO.CH4O/c1-4-22-25(3)24(5-2)21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-23-26;1-3-2;1-2/h23H,2,4,6-22H2,1,3H3;1H3;2H,1H3
InChIKeyPDAZXUAJHRZJSL-UHFFFAOYSA-N
MW445.70 g/mol
LogP7.56
Rot. Bonds20

About methanol;methyl hypofluorite;18-[methyl(propyl)amino]icosa-18,19-dienal

methanol;methyl hypofluorite;18-[methyl(propyl)amino]icosa-18,19-dienal (PubChem CID 143291289) has the molecular formula C26H52FNO3 and a molecular weight of 445.70 g/mol. Its IUPAC name is methanol;methyl hypofluorite;18-[methyl(propyl)amino]icosa-18,19-dienal.

Molecular Properties

Compound Namemethanol;methyl hypofluorite;18-[methyl(propyl)amino]icosa-18,19-dienal
PubChem CID143291289
Molecular FormulaC26H52FNO3
Molecular Weight445.70 g/mol
Exact Mass445.39
IUPAC Namemethanol;methyl hypofluorite;18-[methyl(propyl)amino]icosa-18,19-dienal
SMILESC=C=C(CCCCCCCCCCCCCCCCC=O)N(C)CCC.CO.COF
InChIInChI=1S/C24H45NO.CH3FO.CH4O/c1-4-22-25(3)24(5-2)21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-23-26;1-3-2;1-2/h23H,2,4,6-22H2,1,3H3;1H3;2H,1H3
InChIKeyPDAZXUAJHRZJSL-UHFFFAOYSA-N
XLogP7.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.70
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 175429355
N,N-dimethylmethanamine;ethane;octanal
CID 154679924
methyl 13-oxotridecanoate
CID 10331995
methyl 10-oxodecanoate
CID 519005
9-oxotetradecanal
CID 13272684
19-oxodocosanal
CID 54396259
nonanoyl 9-oxononanoate
CID 134607254
ethyl 20-oxoicosanoate;methanol
CID 177225570
decanal;decane
CID 157361056
N,N-diethyl-10-oxodecanamide
CID 130369072
5-propan-2-ylhepta-5,6-dienal
CID 125494928
N-butyl-N-hexyl-11-oxoundecanamide
CID 172894369

Frequently Asked Questions

What is the IUPAC name of methanol;methyl hypofluorite;18-[methyl(propyl)amino]icosa-18,19-dienal?
The IUPAC name of methanol;methyl hypofluorite;18-[methyl(propyl)amino]icosa-18,19-dienal (CID 143291289) is methanol;methyl hypofluorite;18-[methyl(propyl)amino]icosa-18,19-dienal.
What is the SMILES notation for methanol;methyl hypofluorite;18-[methyl(propyl)amino]icosa-18,19-dienal?
The canonical SMILES for methanol;methyl hypofluorite;18-[methyl(propyl)amino]icosa-18,19-dienal is C=C=C(CCCCCCCCCCCCCCCCC=O)N(C)CCC.CO.COF.
What is the InChIKey of methanol;methyl hypofluorite;18-[methyl(propyl)amino]icosa-18,19-dienal?
The InChIKey is PDAZXUAJHRZJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO.CH3FO.CH4O/c1-4-22-25(3)24(5-2)21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-23-26;1-3-2;1-2/h23H,2,4,6-22H2,1,3H3;1H3;2H,1H3.
What are the key properties of methanol;methyl hypofluorite;18-[methyl(propyl)amino]icosa-18,19-dienal?
methanol;methyl hypofluorite;18-[methyl(propyl)amino]icosa-18,19-dienal has a molecular weight of 445.70 g/mol, XLogP of 7.56, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methyl hypofluorite;18-[methyl(propyl)amino]icosa-18,19-dienal is sourced from PubChem (CID 143291289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).