4-ethenyl-2,2-dimethylheptane

C11H22 — CID 22107351

IUPAC4-ethenyl-2,2-dimethylheptane
SMILESC=CC(CCC)CC(C)(C)C
InChIInChI=1S/C11H22/c1-6-8-10(7-2)9-11(3,4)5/h7,10H,2,6,8-9H2,1,3-5H3
InChIKeyALZOBXSMNMTCTA-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.02
Rot. Bonds4

About 4-ethenyl-2,2-dimethylheptane

4-ethenyl-2,2-dimethylheptane (PubChem CID 22107351) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 4-ethenyl-2,2-dimethylheptane.

Molecular Properties

Compound Name4-ethenyl-2,2-dimethylheptane
PubChem CID22107351
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name4-ethenyl-2,2-dimethylheptane
SMILESC=CC(CCC)CC(C)(C)C
InChIInChI=1S/C11H22/c1-6-8-10(7-2)9-11(3,4)5/h7,10H,2,6,8-9H2,1,3-5H3
InChIKeyALZOBXSMNMTCTA-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.02
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-2,2-dimethylheptane?
The IUPAC name of 4-ethenyl-2,2-dimethylheptane (CID 22107351) is 4-ethenyl-2,2-dimethylheptane.
What is the SMILES notation for 4-ethenyl-2,2-dimethylheptane?
The canonical SMILES for 4-ethenyl-2,2-dimethylheptane is C=CC(CCC)CC(C)(C)C.
What is the InChIKey of 4-ethenyl-2,2-dimethylheptane?
The InChIKey is ALZOBXSMNMTCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-6-8-10(7-2)9-11(3,4)5/h7,10H,2,6,8-9H2,1,3-5H3.
What are the key properties of 4-ethenyl-2,2-dimethylheptane?
4-ethenyl-2,2-dimethylheptane has a molecular weight of 154.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2-dimethylheptane is sourced from PubChem (CID 22107351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).