13-ethyl-3,8-dimethyloctadecane

C22H46 — CID 123214629

IUPAC13-ethyl-3,8-dimethyloctadecane
SMILESCCCCCC(CC)CCCCC(C)CCCCC(C)CC
InChIInChI=1S/C22H46/c1-6-9-10-18-22(8-3)19-14-13-17-21(5)16-12-11-15-20(4)7-2/h20-22H,6-19H2,1-5H3
InChIKeySWNIOTSCPDJLCA-UHFFFAOYSA-N
MW310.61 g/mol
LogP8.40
Rot. Bonds16

About 13-ethyl-3,8-dimethyloctadecane

13-ethyl-3,8-dimethyloctadecane (PubChem CID 123214629) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is 13-ethyl-3,8-dimethyloctadecane.

Molecular Properties

Compound Name13-ethyl-3,8-dimethyloctadecane
PubChem CID123214629
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Name13-ethyl-3,8-dimethyloctadecane
SMILESCCCCCC(CC)CCCCC(C)CCCCC(C)CC
InChIInChI=1S/C22H46/c1-6-9-10-18-22(8-3)19-14-13-17-21(5)16-12-11-15-20(4)7-2/h20-22H,6-19H2,1-5H3
InChIKeySWNIOTSCPDJLCA-UHFFFAOYSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 13-ethyl-3,8-dimethyloctadecane 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

7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane
CID 161368370
9-ethyl-3-methyltridecane
CID 54105230
19-ethyl-15-methyltetratriacontane
CID 123150994
15,19-didecyl-11-ethyl-23-methyltritriacontane
CID 175146840
13-ethyl-16-methyltriacontane
CID 123421227
18-ethyl-15-methyltetratriacontane
CID 123619510
7-ethyl-3-methylundecane
CID 57085432
3,13-dimethyltritriacontane
CID 6431058
3,17-dimethylheptatriacontane
CID 6431061
3,17-dimethylhentriacontane
CID 6431060
(3R,11S)-3,11-dimethyltricosane
CID 163011810
3,13,19-trimethylheptatriacontane
CID 172565400

Frequently Asked Questions

What is the IUPAC name of 13-ethyl-3,8-dimethyloctadecane?
The IUPAC name of 13-ethyl-3,8-dimethyloctadecane (CID 123214629) is 13-ethyl-3,8-dimethyloctadecane.
What is the SMILES notation for 13-ethyl-3,8-dimethyloctadecane?
The canonical SMILES for 13-ethyl-3,8-dimethyloctadecane is CCCCCC(CC)CCCCC(C)CCCCC(C)CC.
What is the InChIKey of 13-ethyl-3,8-dimethyloctadecane?
The InChIKey is SWNIOTSCPDJLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46/c1-6-9-10-18-22(8-3)19-14-13-17-21(5)16-12-11-15-20(4)7-2/h20-22H,6-19H2,1-5H3.
What are the key properties of 13-ethyl-3,8-dimethyloctadecane?
13-ethyl-3,8-dimethyloctadecane has a molecular weight of 310.61 g/mol, XLogP of 8.40, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-3,8-dimethyloctadecane is sourced from PubChem (CID 123214629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).