3-ethylpent-2-ene

C7H14 — CID 13159

IUPAC3-ethylpent-2-ene
SMILESCC=C(CC)CC
InChIInChI=1S/C7H14/c1-4-7(5-2)6-3/h4H,5-6H2,1-3H3
InChIKeyXMYFZAWUNVHVGI-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.75
Rot. Bonds2

About 3-ethylpent-2-ene

3-ethylpent-2-ene (PubChem CID 13159) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is 3-ethylpent-2-ene.

Molecular Properties

Compound Name3-ethylpent-2-ene
PubChem CID13159
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Name3-ethylpent-2-ene
SMILESCC=C(CC)CC
InChIInChI=1S/C7H14/c1-4-7(5-2)6-3/h4H,5-6H2,1-3H3
InChIKeyXMYFZAWUNVHVGI-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpent-2-ene?
The IUPAC name of 3-ethylpent-2-ene (CID 13159) is 3-ethylpent-2-ene.
What is the SMILES notation for 3-ethylpent-2-ene?
The canonical SMILES for 3-ethylpent-2-ene is CC=C(CC)CC.
What is the InChIKey of 3-ethylpent-2-ene?
The InChIKey is XMYFZAWUNVHVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14/c1-4-7(5-2)6-3/h4H,5-6H2,1-3H3.
What are the key properties of 3-ethylpent-2-ene?
3-ethylpent-2-ene has a molecular weight of 98.19 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpent-2-ene is sourced from PubChem (CID 13159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).