18-methoxy-4,8,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoic acid

C23H28O4 — CID 163060981

IUPAC18-methoxy-4,8,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoic acid
SMILESCOC(=O)C=CC(C)=CC=CC(C)=CC=C(C)C=CC=C(C)C=CC(=O)O
InChIInChI=1S/C23H28O4/c1-18(8-6-10-20(3)14-16-22(24)25)12-13-19(2)9-7-11-21(4)15-17-23(26)27-5/h6-17H,1-5H3,(H,24,25)
InChIKeyOVHMOSCQCVKHCV-UHFFFAOYSA-N
MW368.47 g/mol
LogP5.25
Rot. Bonds9

About 18-methoxy-4,8,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoic acid

18-methoxy-4,8,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoic acid (PubChem CID 163060981) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is 18-methoxy-4,8,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoic acid.

Molecular Properties

Compound Name18-methoxy-4,8,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoic acid
PubChem CID163060981
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name18-methoxy-4,8,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoic acid
SMILESCOC(=O)C=CC(C)=CC=CC(C)=CC=C(C)C=CC=C(C)C=CC(=O)O
InChIInChI=1S/C23H28O4/c1-18(8-6-10-20(3)14-16-22(24)25)12-13-19(2)9-7-11-21(4)15-17-23(26)27-5/h6-17H,1-5H3,(H,24,25)
InChIKeyOVHMOSCQCVKHCV-UHFFFAOYSA-N
XLogP5.25
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 18-methoxy-4,8,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoic acid 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

(2E,4Z,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
CID 175795333
(2Z,4E,6Z,8E,10Z,12E,14Z,16Z,18Z)-20-methoxy-4,8,12,16-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
CID 92532880
12-methoxy-3,5,9-trimethyl-12-oxododeca-2,4,6,8,10-pentaenoic acid
CID 162916970
methyl (2E,4E,6E,8E,10E)-4,8-dimethyl-12-oxododeca-2,4,6,8,10-pentaenoate
CID 102353211
but-2-enedioic acid;dimethyl but-2-enedioate
CID 160537834
methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid
CID 174783551
ethene;(Z)-4-methoxy-4-oxobut-2-enoic acid
CID 87864745
methyl (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-4,8,13,17,21,25-hexamethylhexacosa-2,4,6,8,10,12,14,16,18,20,24-undecaenoate
CID 15285539
methyl (2Z)-5-methylhexa-2,4-dienoate
CID 23246793
6-methoxy-2-methyl-6-oxohexa-2,4-dienoic acid
CID 72725941
1-O-methyl 20-O-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioate
CID 100984914
CID 160615105
CID 160615105

Frequently Asked Questions

What is the IUPAC name of 18-methoxy-4,8,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoic acid?
The IUPAC name of 18-methoxy-4,8,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoic acid (CID 163060981) is 18-methoxy-4,8,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoic acid.
What is the SMILES notation for 18-methoxy-4,8,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoic acid?
The canonical SMILES for 18-methoxy-4,8,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoic acid is COC(=O)C=CC(C)=CC=CC(C)=CC=C(C)C=CC=C(C)C=CC(=O)O.
What is the InChIKey of 18-methoxy-4,8,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoic acid?
The InChIKey is OVHMOSCQCVKHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4/c1-18(8-6-10-20(3)14-16-22(24)25)12-13-19(2)9-7-11-21(4)15-17-23(26)27-5/h6-17H,1-5H3,(H,24,25).
What are the key properties of 18-methoxy-4,8,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoic acid?
18-methoxy-4,8,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoic acid has a molecular weight of 368.47 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methoxy-4,8,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoic acid is sourced from PubChem (CID 163060981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).