3,4,5-triethyloctane

C14H30 — CID 57492611

IUPAC3,4,5-triethyloctane
SMILESCCCC(CC)C(CC)C(CC)CC
InChIInChI=1S/C14H30/c1-6-11-13(9-4)14(10-5)12(7-2)8-3/h12-14H,6-11H2,1-5H3
InChIKeyHNQHWWMWHWEIPS-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds8

About 3,4,5-triethyloctane

3,4,5-triethyloctane (PubChem CID 57492611) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 3,4,5-triethyloctane.

Molecular Properties

Compound Name3,4,5-triethyloctane
PubChem CID57492611
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name3,4,5-triethyloctane
SMILESCCCC(CC)C(CC)C(CC)CC
InChIInChI=1S/C14H30/c1-6-11-13(9-4)14(10-5)12(7-2)8-3/h12-14H,6-11H2,1-5H3
InChIKeyHNQHWWMWHWEIPS-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,4,5-triethyloctane 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

4,5,6,7-tetraethyldecane
CID 101052128
3,4-diethylheptane-2-thiol
CID 174326540
4,5-diethyloctane
CID 519254
5-ethyl-2-methyl-4-pentan-3-yloctane
CID 123673781
4,5,7-triethyl-3-methyl-6-propyldecane
CID 91308748
tris(3,4-diethylheptane);methane
CID 160558798
3,4-diethylheptane;ethane
CID 144734225
3,4-diethyl-N,2-dimethylheptan-1-amine
CID 123701896
3,4,5,9-tetraethylundecane
CID 123539086
(3R)-3-ethyl-2-methylhexane
CID 59954424
4,5-diethylnonane
CID 21188862
5-ethyl-4,9,10-tripropyltridecane
CID 21351361

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethyloctane?
The IUPAC name of 3,4,5-triethyloctane (CID 57492611) is 3,4,5-triethyloctane.
What is the SMILES notation for 3,4,5-triethyloctane?
The canonical SMILES for 3,4,5-triethyloctane is CCCC(CC)C(CC)C(CC)CC.
What is the InChIKey of 3,4,5-triethyloctane?
The InChIKey is HNQHWWMWHWEIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-6-11-13(9-4)14(10-5)12(7-2)8-3/h12-14H,6-11H2,1-5H3.
What are the key properties of 3,4,5-triethyloctane?
3,4,5-triethyloctane has a molecular weight of 198.39 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethyloctane is sourced from PubChem (CID 57492611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).