1,1,21,21-tetramethoxy-11-methylhenicosane

C26H54O4 — CID 151305042

IUPAC1,1,21,21-tetramethoxy-11-methylhenicosane
SMILESCOC(CCCCCCCCCC(C)CCCCCCCCCC(OC)OC)OC
InChIInChI=1S/C26H54O4/c1-24(20-16-12-8-6-10-14-18-22-25(27-2)28-3)21-17-13-9-7-11-15-19-23-26(29-4)30-5/h24-26H,6-23H2,1-5H3
InChIKeyODFIJUDSKSRRSW-UHFFFAOYSA-N
MW430.71 g/mol
LogP7.88
Rot. Bonds24

About 1,1,21,21-tetramethoxy-11-methylhenicosane

1,1,21,21-tetramethoxy-11-methylhenicosane (PubChem CID 151305042) has the molecular formula C26H54O4 and a molecular weight of 430.71 g/mol. Its IUPAC name is 1,1,21,21-tetramethoxy-11-methylhenicosane.

Molecular Properties

Compound Name1,1,21,21-tetramethoxy-11-methylhenicosane
PubChem CID151305042
Molecular FormulaC26H54O4
Molecular Weight430.71 g/mol
Exact Mass430.40
IUPAC Name1,1,21,21-tetramethoxy-11-methylhenicosane
SMILESCOC(CCCCCCCCCC(C)CCCCCCCCCC(OC)OC)OC
InChIInChI=1S/C26H54O4/c1-24(20-16-12-8-6-10-14-18-22-25(27-2)28-3)21-17-13-9-7-11-15-19-23-26(29-4)30-5/h24-26H,6-23H2,1-5H3
InChIKeyODFIJUDSKSRRSW-UHFFFAOYSA-N
XLogP7.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.71
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,1,21,21-tetramethoxy-11-methylhenicosane 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

1,1-dimethoxytetradecane
CID 13265409
(E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene
CID 6450378
12,12-dimethoxydodecan-1-ol
CID 71412944
1-(3,7-dimethyloctoxy)-1-methoxydecane
CID 3022843
9,9-dimethoxy-6-methylnonan-2-one
CID 14103320
7,7-dimethoxyheptanamide
CID 134986076
4,4-dimethoxybutylsilane
CID 123239854
(Z)-16,16-dimethoxyhexadec-7-ene
CID 6438015
CID 57182943
CID 57182943
6-methylheptacosane
CID 22223776
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274

Frequently Asked Questions

What is the IUPAC name of 1,1,21,21-tetramethoxy-11-methylhenicosane?
The IUPAC name of 1,1,21,21-tetramethoxy-11-methylhenicosane (CID 151305042) is 1,1,21,21-tetramethoxy-11-methylhenicosane.
What is the SMILES notation for 1,1,21,21-tetramethoxy-11-methylhenicosane?
The canonical SMILES for 1,1,21,21-tetramethoxy-11-methylhenicosane is COC(CCCCCCCCCC(C)CCCCCCCCCC(OC)OC)OC.
What is the InChIKey of 1,1,21,21-tetramethoxy-11-methylhenicosane?
The InChIKey is ODFIJUDSKSRRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O4/c1-24(20-16-12-8-6-10-14-18-22-25(27-2)28-3)21-17-13-9-7-11-15-19-23-26(29-4)30-5/h24-26H,6-23H2,1-5H3.
What are the key properties of 1,1,21,21-tetramethoxy-11-methylhenicosane?
1,1,21,21-tetramethoxy-11-methylhenicosane has a molecular weight of 430.71 g/mol, XLogP of 7.88, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,21,21-tetramethoxy-11-methylhenicosane is sourced from PubChem (CID 151305042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).