3-ethyl-2,2,4,6-tetramethyloctane

C14H30 — CID 57492379

IUPAC3-ethyl-2,2,4,6-tetramethyloctane
SMILESCCC(C)CC(C)C(CC)C(C)(C)C
InChIInChI=1S/C14H30/c1-8-11(3)10-12(4)13(9-2)14(5,6)7/h11-13H,8-10H2,1-7H3
InChIKeySKCKYGHCUNREKF-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.13
Rot. Bonds5

About 3-ethyl-2,2,4,6-tetramethyloctane

3-ethyl-2,2,4,6-tetramethyloctane (PubChem CID 57492379) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 3-ethyl-2,2,4,6-tetramethyloctane.

Molecular Properties

Compound Name3-ethyl-2,2,4,6-tetramethyloctane
PubChem CID57492379
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name3-ethyl-2,2,4,6-tetramethyloctane
SMILESCCC(C)CC(C)C(CC)C(C)(C)C
InChIInChI=1S/C14H30/c1-8-11(3)10-12(4)13(9-2)14(5,6)7/h11-13H,8-10H2,1-7H3
InChIKeySKCKYGHCUNREKF-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-ethyl-2,2,4,6-tetramethyloctane 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

2,2,5-trimethyl-3-propan-2-ylheptane
CID 57158137
2,2,3,4,6-pentamethyloctane
CID 57491075
(5R)-2,3,5-trimethylheptane
CID 59882960
3-ethyl-2,2,4-trimethylheptane
CID 22354769
2,3,5,6,8-pentamethyldecane
CID 123990465
3-ethyl-2,2,4,5-tetramethylhexane
CID 53428653
(5S)-2,2,5-trimethylheptan-3-ol
CID 91117012
5-ethyl-3,6,8-trimethyldecane
CID 173141656
3,4,5,6,8-pentamethyldecane
CID 123810037
4-ethyl-2,3,5,7-tetramethylnonane
CID 123258187
3,5,6-trimethyldecane
CID 57490917
3,5-dimethylheptane;ethane
CID 172617343

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2,4,6-tetramethyloctane?
The IUPAC name of 3-ethyl-2,2,4,6-tetramethyloctane (CID 57492379) is 3-ethyl-2,2,4,6-tetramethyloctane.
What is the SMILES notation for 3-ethyl-2,2,4,6-tetramethyloctane?
The canonical SMILES for 3-ethyl-2,2,4,6-tetramethyloctane is CCC(C)CC(C)C(CC)C(C)(C)C.
What is the InChIKey of 3-ethyl-2,2,4,6-tetramethyloctane?
The InChIKey is SKCKYGHCUNREKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-8-11(3)10-12(4)13(9-2)14(5,6)7/h11-13H,8-10H2,1-7H3.
What are the key properties of 3-ethyl-2,2,4,6-tetramethyloctane?
3-ethyl-2,2,4,6-tetramethyloctane has a molecular weight of 198.39 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2,4,6-tetramethyloctane is sourced from PubChem (CID 57492379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).