10-ethyl-2,6,12-trimethyloctacosane

C33H68 — CID 123697620

IUPAC10-ethyl-2,6,12-trimethyloctacosane
SMILESCCCCCCCCCCCCCCCCC(C)CC(CC)CCCC(C)CCCC(C)C
InChIInChI=1S/C33H68/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-25-32(6)29-33(8-2)28-23-27-31(5)26-22-24-30(3)4/h30-33H,7-29H2,1-6H3
InChIKeyZEKPNNFCXZPHJV-UHFFFAOYSA-N
MW464.91 g/mol
LogP12.54
Rot. Bonds26

About 10-ethyl-2,6,12-trimethyloctacosane

10-ethyl-2,6,12-trimethyloctacosane (PubChem CID 123697620) has the molecular formula C33H68 and a molecular weight of 464.91 g/mol. Its IUPAC name is 10-ethyl-2,6,12-trimethyloctacosane.

Molecular Properties

Compound Name10-ethyl-2,6,12-trimethyloctacosane
PubChem CID123697620
Molecular FormulaC33H68
Molecular Weight464.91 g/mol
Exact Mass464.53
IUPAC Name10-ethyl-2,6,12-trimethyloctacosane
SMILESCCCCCCCCCCCCCCCCC(C)CC(CC)CCCC(C)CCCC(C)C
InChIInChI=1S/C33H68/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-25-32(6)29-33(8-2)28-23-27-31(5)26-22-24-30(3)4/h30-33H,7-29H2,1-6H3
InChIKeyZEKPNNFCXZPHJV-UHFFFAOYSA-N
XLogP12.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.91
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 10-ethyl-2,6,12-trimethyloctacosane 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

6-ethyl-2,8-dimethylicosane;2,6,9-trimethylhenicosane
CID 160563987
11-ethyl-9-methylhenicosane
CID 154589575
5-ethyl-7-methylhexadecane
CID 173452938
19-ethyl-15-methyltetratriacontane
CID 123150994
2,6,10-trimethyldocosane
CID 175986851
2,6-dimethyltriacontane
CID 526581
2,6-dimethylicosane
CID 54262109
2,6-dimethyltridecane
CID 524061
11-ethyl-2,6,9-trimethyltridecane
CID 123326718
15,19-didecyl-11-ethyl-23-methyltritriacontane
CID 175146840
5,11-diethyl-7-methylpentadecane
CID 174871265
2,24,26-trimethyldotetracontane
CID 91249721

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-2,6,12-trimethyloctacosane?
The IUPAC name of 10-ethyl-2,6,12-trimethyloctacosane (CID 123697620) is 10-ethyl-2,6,12-trimethyloctacosane.
What is the SMILES notation for 10-ethyl-2,6,12-trimethyloctacosane?
The canonical SMILES for 10-ethyl-2,6,12-trimethyloctacosane is CCCCCCCCCCCCCCCCC(C)CC(CC)CCCC(C)CCCC(C)C.
What is the InChIKey of 10-ethyl-2,6,12-trimethyloctacosane?
The InChIKey is ZEKPNNFCXZPHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-25-32(6)29-33(8-2)28-23-27-31(5)26-22-24-30(3)4/h30-33H,7-29H2,1-6H3.
What are the key properties of 10-ethyl-2,6,12-trimethyloctacosane?
10-ethyl-2,6,12-trimethyloctacosane has a molecular weight of 464.91 g/mol, XLogP of 12.54, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-2,6,12-trimethyloctacosane is sourced from PubChem (CID 123697620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).