2-Methyl-3-ethyl-2-heptene

C10H20 — CID 140589

IUPAC3-ethyl-2-methylhept-2-ene
SMILESCCCCC(=C(C)C)CC
InChIInChI=1S/C10H20/c1-5-7-8-10(6-2)9(3)4/h5-8H2,1-4H3
InChIKeyJCVDGJIYXBDDCK-UHFFFAOYSA-N
MW140.27 g/mol
LogP4.90
Rot. Bonds4

About 2-Methyl-3-ethyl-2-heptene

2-Methyl-3-ethyl-2-heptene (PubChem CID 140589) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 3-ethyl-2-methylhept-2-ene.

Molecular Properties

Compound Name2-Methyl-3-ethyl-2-heptene
PubChem CID140589
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name3-ethyl-2-methylhept-2-ene
SMILESCCCCC(=C(C)C)CC
InChIInChI=1S/C10H20/c1-5-7-8-10(6-2)9(3)4/h5-8H2,1-4H3
InChIKeyJCVDGJIYXBDDCK-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity105

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 54.90
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 2-Methyl-3-ethyl-2-heptene?
The IUPAC name of 2-Methyl-3-ethyl-2-heptene (CID 140589) is 3-ethyl-2-methylhept-2-ene.
What is the SMILES notation for 2-Methyl-3-ethyl-2-heptene?
The canonical SMILES for 2-Methyl-3-ethyl-2-heptene is CCCCC(=C(C)C)CC.
What is the InChIKey of 2-Methyl-3-ethyl-2-heptene?
The InChIKey is JCVDGJIYXBDDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-5-7-8-10(6-2)9(3)4/h5-8H2,1-4H3.
What are the key properties of 2-Methyl-3-ethyl-2-heptene?
2-Methyl-3-ethyl-2-heptene has a molecular weight of 140.27 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methyl-3-ethyl-2-heptene is sourced from PubChem (CID 140589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).