4-ethenyl-3,5-dimethylheptane

C11H22 — CID 90755259

IUPAC4-ethenyl-3,5-dimethylheptane
SMILESC=CC(C(C)CC)C(C)CC
InChIInChI=1S/C11H22/c1-6-9(4)11(8-3)10(5)7-2/h8-11H,3,6-7H2,1-2,4-5H3
InChIKeyAKZZAODWERGIJP-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.88
Rot. Bonds5

About 4-ethenyl-3,5-dimethylheptane

4-ethenyl-3,5-dimethylheptane (PubChem CID 90755259) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 4-ethenyl-3,5-dimethylheptane.

Molecular Properties

Compound Name4-ethenyl-3,5-dimethylheptane
PubChem CID90755259
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name4-ethenyl-3,5-dimethylheptane
SMILESC=CC(C(C)CC)C(C)CC
InChIInChI=1S/C11H22/c1-6-9(4)11(8-3)10(5)7-2/h8-11H,3,6-7H2,1-2,4-5H3
InChIKeyAKZZAODWERGIJP-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.88
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 4-ethenyl-3,5-dimethylheptane?
The IUPAC name of 4-ethenyl-3,5-dimethylheptane (CID 90755259) is 4-ethenyl-3,5-dimethylheptane.
What is the SMILES notation for 4-ethenyl-3,5-dimethylheptane?
The canonical SMILES for 4-ethenyl-3,5-dimethylheptane is C=CC(C(C)CC)C(C)CC.
What is the InChIKey of 4-ethenyl-3,5-dimethylheptane?
The InChIKey is AKZZAODWERGIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-6-9(4)11(8-3)10(5)7-2/h8-11H,3,6-7H2,1-2,4-5H3.
What are the key properties of 4-ethenyl-3,5-dimethylheptane?
4-ethenyl-3,5-dimethylheptane has a molecular weight of 154.30 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3,5-dimethylheptane is sourced from PubChem (CID 90755259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).