3-ethyl-5-methylideneheptane

C10H20 — CID 537680

IUPAC3-ethyl-5-methylideneheptane
SMILESC=C(CC)CC(CC)CC
InChIInChI=1S/C10H20/c1-5-9(4)8-10(6-2)7-3/h10H,4-8H2,1-3H3
InChIKeyWMDHFGCFJHJIIS-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.78
Rot. Bonds5

About 3-ethyl-5-methylideneheptane

3-ethyl-5-methylideneheptane (PubChem CID 537680) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 3-ethyl-5-methylideneheptane.

Molecular Properties

Compound Name3-ethyl-5-methylideneheptane
PubChem CID537680
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name3-ethyl-5-methylideneheptane
SMILESC=C(CC)CC(CC)CC
InChIInChI=1S/C10H20/c1-5-9(4)8-10(6-2)7-3/h10H,4-8H2,1-3H3
InChIKeyWMDHFGCFJHJIIS-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.78
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-ethyl-5-methylideneheptane?
The IUPAC name of 3-ethyl-5-methylideneheptane (CID 537680) is 3-ethyl-5-methylideneheptane.
What is the SMILES notation for 3-ethyl-5-methylideneheptane?
The canonical SMILES for 3-ethyl-5-methylideneheptane is C=C(CC)CC(CC)CC.
What is the InChIKey of 3-ethyl-5-methylideneheptane?
The InChIKey is WMDHFGCFJHJIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-5-9(4)8-10(6-2)7-3/h10H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-5-methylideneheptane?
3-ethyl-5-methylideneheptane has a molecular weight of 140.27 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylideneheptane is sourced from PubChem (CID 537680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).