3-ethyl-2,3,4-trimethyloctane

C13H28 — CID 57491124

IUPAC3-ethyl-2,3,4-trimethyloctane
SMILESCCCCC(C)C(C)(CC)C(C)C
InChIInChI=1S/C13H28/c1-7-9-10-12(5)13(6,8-2)11(3)4/h11-12H,7-10H2,1-6H3
InChIKeyBYGMAQZDKNMMQB-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.89
Rot. Bonds6

About 3-ethyl-2,3,4-trimethyloctane

3-ethyl-2,3,4-trimethyloctane (PubChem CID 57491124) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 3-ethyl-2,3,4-trimethyloctane.

Molecular Properties

Compound Name3-ethyl-2,3,4-trimethyloctane
PubChem CID57491124
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name3-ethyl-2,3,4-trimethyloctane
SMILESCCCCC(C)C(C)(CC)C(C)C
InChIInChI=1S/C13H28/c1-7-9-10-12(5)13(6,8-2)11(3)4/h11-12H,7-10H2,1-6H3
InChIKeyBYGMAQZDKNMMQB-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-ethyl-2,3,4-trimethyloctane 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

4-ethyl-3,3,4,5-tetramethylnonane
CID 123665887
3-ethyl-3-methyloctane-2,4-diol
CID 57198922
2,3,3,4-tetramethylnonadecane
CID 174953704
N-tert-butyl-2,3-dimethylheptan-2-amine
CID 134186081
methane;1,1,1-trifluoro-2-methylhexane
CID 161476124
3,3-dimethylpentane;2-methylhexane
CID 158289309
2,2,3-trimethylundecane
CID 21285055
2,3-dimethyl-3-propan-2-yldodecane
CID 150435624
2,2-dimethylpropane-1,3-diol;4-methyloctane-3,3-diol
CID 87279877
1,1-dichloro-1-fluoro-2-methylhexane
CID 173319055
tris(2,3-dimethylheptan-2-yl) phosphate
CID 87189657
potassium 2,2,3-trimethylheptanoate
CID 175224943

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3,4-trimethyloctane?
The IUPAC name of 3-ethyl-2,3,4-trimethyloctane (CID 57491124) is 3-ethyl-2,3,4-trimethyloctane.
What is the SMILES notation for 3-ethyl-2,3,4-trimethyloctane?
The canonical SMILES for 3-ethyl-2,3,4-trimethyloctane is CCCCC(C)C(C)(CC)C(C)C.
What is the InChIKey of 3-ethyl-2,3,4-trimethyloctane?
The InChIKey is BYGMAQZDKNMMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-7-9-10-12(5)13(6,8-2)11(3)4/h11-12H,7-10H2,1-6H3.
What are the key properties of 3-ethyl-2,3,4-trimethyloctane?
3-ethyl-2,3,4-trimethyloctane has a molecular weight of 184.37 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3,4-trimethyloctane is sourced from PubChem (CID 57491124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).