5-ethyl-2-methylhept-3-ene

C10H19+ — CID 91531290

IUPAC5-ethyl-2-methylhept-3-ene
SMILESC[CH+]C(C=CC(C)C)CC
InChIInChI=1S/C10H19/c1-5-10(6-2)8-7-9(3)4/h5,7-10H,6H2,1-4H3/q+1
InChIKeyCNKLRHNHHMCZCU-UHFFFAOYSA-N
MW139.26 g/mol
LogP3.45
Rot. Bonds4

About 5-ethyl-2-methylhept-3-ene

5-ethyl-2-methylhept-3-ene (PubChem CID 91531290) has the molecular formula C10H19+ and a molecular weight of 139.26 g/mol. Its IUPAC name is 5-ethyl-2-methylhept-3-ene.

Molecular Properties

Compound Name5-ethyl-2-methylhept-3-ene
PubChem CID91531290
Molecular FormulaC10H19+
Molecular Weight139.26 g/mol
Exact Mass139.15
IUPAC Name5-ethyl-2-methylhept-3-ene
SMILESC[CH+]C(C=CC(C)C)CC
InChIInChI=1S/C10H19/c1-5-10(6-2)8-7-9(3)4/h5,7-10H,6H2,1-4H3/q+1
InChIKeyCNKLRHNHHMCZCU-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methylhept-3-ene?
The IUPAC name of 5-ethyl-2-methylhept-3-ene (CID 91531290) is 5-ethyl-2-methylhept-3-ene.
What is the SMILES notation for 5-ethyl-2-methylhept-3-ene?
The canonical SMILES for 5-ethyl-2-methylhept-3-ene is C[CH+]C(C=CC(C)C)CC.
What is the InChIKey of 5-ethyl-2-methylhept-3-ene?
The InChIKey is CNKLRHNHHMCZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19/c1-5-10(6-2)8-7-9(3)4/h5,7-10H,6H2,1-4H3/q+1.
What are the key properties of 5-ethyl-2-methylhept-3-ene?
5-ethyl-2-methylhept-3-ene has a molecular weight of 139.26 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methylhept-3-ene is sourced from PubChem (CID 91531290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).