3-ethyl-2-methylpentane

C8H18 — CID 11863

IUPAC3-ethyl-2-methylpentane
SMILESCCC(CC)C(C)C
InChIInChI=1S/C8H18/c1-5-8(6-2)7(3)4/h7-8H,5-6H2,1-4H3
InChIKeyDUPUVYJQZSLSJB-UHFFFAOYSA-N
MW114.23 g/mol
LogP3.08
Rot. Bonds3

About 3-ethyl-2-methylpentane

3-ethyl-2-methylpentane (PubChem CID 11863) has the molecular formula C8H18 and a molecular weight of 114.23 g/mol. Its IUPAC name is 3-ethyl-2-methylpentane.

Molecular Properties

Compound Name3-ethyl-2-methylpentane
PubChem CID11863
Molecular FormulaC8H18
Molecular Weight114.23 g/mol
Exact Mass114.14
IUPAC Name3-ethyl-2-methylpentane
SMILESCCC(CC)C(C)C
InChIInChI=1S/C8H18/c1-5-8(6-2)7(3)4/h7-8H,5-6H2,1-4H3
InChIKeyDUPUVYJQZSLSJB-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.23
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylpentane?
The IUPAC name of 3-ethyl-2-methylpentane (CID 11863) is 3-ethyl-2-methylpentane.
What is the SMILES notation for 3-ethyl-2-methylpentane?
The canonical SMILES for 3-ethyl-2-methylpentane is CCC(CC)C(C)C.
What is the InChIKey of 3-ethyl-2-methylpentane?
The InChIKey is DUPUVYJQZSLSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18/c1-5-8(6-2)7(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-ethyl-2-methylpentane?
3-ethyl-2-methylpentane has a molecular weight of 114.23 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylpentane is sourced from PubChem (CID 11863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).