3-ethyl-2,3-dimethylpentane

C9H20 — CID 28027

IUPAC3-ethyl-2,3-dimethylpentane
SMILESCCC(C)(CC)C(C)C
InChIInChI=1S/C9H20/c1-6-9(5,7-2)8(3)4/h8H,6-7H2,1-5H3
InChIKeyMMASVVOQIKCFJZ-UHFFFAOYSA-N
MW128.26 g/mol
LogP3.47
Rot. Bonds3

About 3-ethyl-2,3-dimethylpentane

3-ethyl-2,3-dimethylpentane (PubChem CID 28027) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is 3-ethyl-2,3-dimethylpentane.

Molecular Properties

Compound Name3-ethyl-2,3-dimethylpentane
PubChem CID28027
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Name3-ethyl-2,3-dimethylpentane
SMILESCCC(C)(CC)C(C)C
InChIInChI=1S/C9H20/c1-6-9(5,7-2)8(3)4/h8H,6-7H2,1-5H3
InChIKeyMMASVVOQIKCFJZ-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3-dimethylpentane?
The IUPAC name of 3-ethyl-2,3-dimethylpentane (CID 28027) is 3-ethyl-2,3-dimethylpentane.
What is the SMILES notation for 3-ethyl-2,3-dimethylpentane?
The canonical SMILES for 3-ethyl-2,3-dimethylpentane is CCC(C)(CC)C(C)C.
What is the InChIKey of 3-ethyl-2,3-dimethylpentane?
The InChIKey is MMASVVOQIKCFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20/c1-6-9(5,7-2)8(3)4/h8H,6-7H2,1-5H3.
What are the key properties of 3-ethyl-2,3-dimethylpentane?
3-ethyl-2,3-dimethylpentane has a molecular weight of 128.26 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3-dimethylpentane is sourced from PubChem (CID 28027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).