(Z)-22-methoxydocos-9-ene

C23H46O — CID 139489496

IUPAC(Z)-22-methoxydocos-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCOC
InChIInChI=1S/C23H46O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-2/h10-11H,3-9,12-23H2,1-2H3/b11-10-
InChIKeyWPQMLFCRGZDXFX-KHPPLWFESA-N
MW338.62 g/mol
LogP8.23
Rot. Bonds20

About (Z)-22-methoxydocos-9-ene

(Z)-22-methoxydocos-9-ene (PubChem CID 139489496) has the molecular formula C23H46O and a molecular weight of 338.62 g/mol. Its IUPAC name is (Z)-22-methoxydocos-9-ene.

Molecular Properties

Compound Name(Z)-22-methoxydocos-9-ene
PubChem CID139489496
Molecular FormulaC23H46O
Molecular Weight338.62 g/mol
Exact Mass338.35
IUPAC Name(Z)-22-methoxydocos-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCOC
InChIInChI=1S/C23H46O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-2/h10-11H,3-9,12-23H2,1-2H3/b11-10-
InChIKeyWPQMLFCRGZDXFX-KHPPLWFESA-N
XLogP8.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-22-methoxydocos-9-ene 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

(Z)-1-methoxynon-4-ene
CID 59123720
1-methoxyhexacosane
CID 20780514
azane;1-methoxydodecane
CID 174553670
(E)-hexadec-6-ene
CID 5352260
(E)-hexacos-10-ene
CID 22172169
(Z)-docos-9-ene
CID 11690102
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020

Frequently Asked Questions

What is the IUPAC name of (Z)-22-methoxydocos-9-ene?
The IUPAC name of (Z)-22-methoxydocos-9-ene (CID 139489496) is (Z)-22-methoxydocos-9-ene.
What is the SMILES notation for (Z)-22-methoxydocos-9-ene?
The canonical SMILES for (Z)-22-methoxydocos-9-ene is CCCCCCCC/C=C\CCCCCCCCCCCCOC.
What is the InChIKey of (Z)-22-methoxydocos-9-ene?
The InChIKey is WPQMLFCRGZDXFX-KHPPLWFESA-N. The full InChI is InChI=1S/C23H46O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-2/h10-11H,3-9,12-23H2,1-2H3/b11-10-.
What are the key properties of (Z)-22-methoxydocos-9-ene?
(Z)-22-methoxydocos-9-ene has a molecular weight of 338.62 g/mol, XLogP of 8.23, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-22-methoxydocos-9-ene is sourced from PubChem (CID 139489496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).