1-methoxy-7,11,15,19-tetramethylicosa-6,10,14,18-tetraen-3-one

C25H42O2 — CID 123199209

IUPAC1-methoxy-7,11,15,19-tetramethylicosa-6,10,14,18-tetraen-3-one
SMILESCOCCC(=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C25H42O2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(26)19-20-27-6/h11,13,15,17H,7-10,12,14,16,18-20H2,1-6H3
InChIKeyLFTZBTLXZDEGMX-UHFFFAOYSA-N
MW374.61 g/mol
LogP7.52
Rot. Bonds15

About 1-methoxy-7,11,15,19-tetramethylicosa-6,10,14,18-tetraen-3-one

1-methoxy-7,11,15,19-tetramethylicosa-6,10,14,18-tetraen-3-one (PubChem CID 123199209) has the molecular formula C25H42O2 and a molecular weight of 374.61 g/mol. Its IUPAC name is 1-methoxy-7,11,15,19-tetramethylicosa-6,10,14,18-tetraen-3-one.

Molecular Properties

Compound Name1-methoxy-7,11,15,19-tetramethylicosa-6,10,14,18-tetraen-3-one
PubChem CID123199209
Molecular FormulaC25H42O2
Molecular Weight374.61 g/mol
Exact Mass374.32
IUPAC Name1-methoxy-7,11,15,19-tetramethylicosa-6,10,14,18-tetraen-3-one
SMILESCOCCC(=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C25H42O2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(26)19-20-27-6/h11,13,15,17H,7-10,12,14,16,18-20H2,1-6H3
InChIKeyLFTZBTLXZDEGMX-UHFFFAOYSA-N
XLogP7.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxy-7,11,15,19-tetramethylicosa-6,10,14,18-tetraen-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Methylpropoxy)tetradeca-6,12-dien-8,10-diyn-3-one
CID 162988017
methyl (6E,10E)-7,11,15-trimethyl-3-oxohexadeca-6,10,14-trienoate
CID 13995078
(E)-6-methoxy-3-methylhept-2-en-4-one
CID 134972532
Methyl 3-oxo-7,11,15-trimethylhexadeca-6,10,14-trienoate
CID 54245426
ethyl (6Z,10E)-11,15-dimethyl-7-(3-methylbut-2-enyl)-3-oxohexadeca-6,10,14-trienoate
CID 58792354
ethyl (6Z)-11-methyl-7-(3-methylbut-2-enyl)-3-oxododeca-6,10-dienoate
CID 59504259
1-Hydroxy-7-methyloct-6-EN-3-one
CID 71442814
(5E,9E,13E)-1-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one
CID 71735599
Ethyl 11-methyl-7-(3-methylbut-2-enyl)-3-oxododeca-6,10-dienoate
CID 72309393
1-Methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one
CID 78164116
ethyl (6E)-11-methyl-7-(3-methylbut-2-enyl)-3-oxododeca-6,10-dienoate
CID 87449990
(E)-1,10-dimethoxy-6-methyldec-5-en-4-one
CID 89358514

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-7,11,15,19-tetramethylicosa-6,10,14,18-tetraen-3-one?
The IUPAC name of 1-methoxy-7,11,15,19-tetramethylicosa-6,10,14,18-tetraen-3-one (CID 123199209) is 1-methoxy-7,11,15,19-tetramethylicosa-6,10,14,18-tetraen-3-one.
What is the SMILES notation for 1-methoxy-7,11,15,19-tetramethylicosa-6,10,14,18-tetraen-3-one?
The canonical SMILES for 1-methoxy-7,11,15,19-tetramethylicosa-6,10,14,18-tetraen-3-one is COCCC(=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of 1-methoxy-7,11,15,19-tetramethylicosa-6,10,14,18-tetraen-3-one?
The InChIKey is LFTZBTLXZDEGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(26)19-20-27-6/h11,13,15,17H,7-10,12,14,16,18-20H2,1-6H3.
What are the key properties of 1-methoxy-7,11,15,19-tetramethylicosa-6,10,14,18-tetraen-3-one?
1-methoxy-7,11,15,19-tetramethylicosa-6,10,14,18-tetraen-3-one has a molecular weight of 374.61 g/mol, XLogP of 7.52, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-7,11,15,19-tetramethylicosa-6,10,14,18-tetraen-3-one is sourced from PubChem (CID 123199209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).