3,3-diethylpentane

C9H20 — CID 14020

IUPAC3,3-diethylpentane
SMILESCCC(CC)(CC)CC
InChIInChI=1S/C9H20/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3
InChIKeyBGXXXYLRPIRDHJ-UHFFFAOYSA-N
MW128.26 g/mol
LogP3.61
Rot. Bonds4

About 3,3-diethylpentane

3,3-diethylpentane (PubChem CID 14020) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is 3,3-diethylpentane.

Molecular Properties

Compound Name3,3-diethylpentane
PubChem CID14020
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Name3,3-diethylpentane
SMILESCCC(CC)(CC)CC
InChIInChI=1S/C9H20/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3
InChIKeyBGXXXYLRPIRDHJ-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,3-diethylpentane 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

3,3-Dimethylpentane
CID 11229
3,3-Dimethylhexane
CID 11233
2,3,3-Trimethylpentane
CID 11215
3-Ethyl-3-methylpentane
CID 14018
2,2,3-Trimethylpentane
CID 11255
2,2,4,4-Tetramethylpentane
CID 14058
2,2,4-Trimethylhexane
CID 28022
4,4-Dimethylheptane
CID 136827
3,3-Dimethylheptane
CID 520991
2,2,3,4-Tetramethylpentane
CID 14462
3-Ethyl-3-methylheptane
CID 140213
Hexane, 3,3,4,4-tetramethyl-
CID 78849

Frequently Asked Questions

What is the IUPAC name of 3,3-diethylpentane?
The IUPAC name of 3,3-diethylpentane (CID 14020) is 3,3-diethylpentane.
What is the SMILES notation for 3,3-diethylpentane?
The canonical SMILES for 3,3-diethylpentane is CCC(CC)(CC)CC.
What is the InChIKey of 3,3-diethylpentane?
The InChIKey is BGXXXYLRPIRDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3.
What are the key properties of 3,3-diethylpentane?
3,3-diethylpentane has a molecular weight of 128.26 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethylpentane is sourced from PubChem (CID 14020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).