4,4-diethyl-2,7-dimethyloctane

C14H30 — CID 57492571

IUPAC4,4-diethyl-2,7-dimethyloctane
SMILESCCC(CC)(CCC(C)C)CC(C)C
InChIInChI=1S/C14H30/c1-7-14(8-2,11-13(5)6)10-9-12(3)4/h12-13H,7-11H2,1-6H3
InChIKeyBJYDXPWNHLUSHY-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds7

About 4,4-diethyl-2,7-dimethyloctane

4,4-diethyl-2,7-dimethyloctane (PubChem CID 57492571) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 4,4-diethyl-2,7-dimethyloctane.

Molecular Properties

Compound Name4,4-diethyl-2,7-dimethyloctane
PubChem CID57492571
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name4,4-diethyl-2,7-dimethyloctane
SMILESCCC(CC)(CCC(C)C)CC(C)C
InChIInChI=1S/C14H30/c1-7-14(8-2,11-13(5)6)10-9-12(3)4/h12-13H,7-11H2,1-6H3
InChIKeyBJYDXPWNHLUSHY-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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 4,4-diethyl-2,7-dimethyloctane 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

2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane
CID 158412329
tris(2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane);methane
CID 167580098
5-(bromomethyl)-5-ethyl-2-methylnonane
CID 66050233
2-(2-methylpropyl)-2-(2-propoxyethyl)propane-1,3-diol
CID 106459753
2-butyl-2-ethylpropane-1,3-diol;2-ethyl-2-(2-methylpropyl)propane-1,3-diol
CID 88623677
ethane;2-ethyl-4-fluoro-2-(3-methylbutyl)hexane-1-thiol
CID 168880917
bis(2,6-dimethyl-4,4-bis(2-methylpropyl)heptane);methane
CID 159457084
4,4-bis(ethoxymethyl)-2-methylhexane
CID 89107052
5-ethyl-2,8-dimethyl-5-propan-2-ylnonane
CID 123397627
5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane
CID 167654054
4-ethyl-4-[2-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]peroxyethoxymethyl]-2,6-dimethylheptane
CID 135274521
N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine
CID 63509483

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-2,7-dimethyloctane?
The IUPAC name of 4,4-diethyl-2,7-dimethyloctane (CID 57492571) is 4,4-diethyl-2,7-dimethyloctane.
What is the SMILES notation for 4,4-diethyl-2,7-dimethyloctane?
The canonical SMILES for 4,4-diethyl-2,7-dimethyloctane is CCC(CC)(CCC(C)C)CC(C)C.
What is the InChIKey of 4,4-diethyl-2,7-dimethyloctane?
The InChIKey is BJYDXPWNHLUSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-7-14(8-2,11-13(5)6)10-9-12(3)4/h12-13H,7-11H2,1-6H3.
What are the key properties of 4,4-diethyl-2,7-dimethyloctane?
4,4-diethyl-2,7-dimethyloctane has a molecular weight of 198.39 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-2,7-dimethyloctane is sourced from PubChem (CID 57492571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).