3-ethyl-2,2-dimethylhept-3-ene

C11H22 — CID 54053277

IUPAC3-ethyl-2,2-dimethylhept-3-ene
SMILESCCCC=C(CC)C(C)(C)C
InChIInChI=1S/C11H22/c1-6-8-9-10(7-2)11(3,4)5/h9H,6-8H2,1-5H3
InChIKeyLULJTJRBVAURTN-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.17
Rot. Bonds3

About 3-ethyl-2,2-dimethylhept-3-ene

3-ethyl-2,2-dimethylhept-3-ene (PubChem CID 54053277) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 3-ethyl-2,2-dimethylhept-3-ene.

Molecular Properties

Compound Name3-ethyl-2,2-dimethylhept-3-ene
PubChem CID54053277
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name3-ethyl-2,2-dimethylhept-3-ene
SMILESCCCC=C(CC)C(C)(C)C
InChIInChI=1S/C11H22/c1-6-8-9-10(7-2)11(3,4)5/h9H,6-8H2,1-5H3
InChIKeyLULJTJRBVAURTN-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.17
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-2,2-dimethylhept-3-ene?
The IUPAC name of 3-ethyl-2,2-dimethylhept-3-ene (CID 54053277) is 3-ethyl-2,2-dimethylhept-3-ene.
What is the SMILES notation for 3-ethyl-2,2-dimethylhept-3-ene?
The canonical SMILES for 3-ethyl-2,2-dimethylhept-3-ene is CCCC=C(CC)C(C)(C)C.
What is the InChIKey of 3-ethyl-2,2-dimethylhept-3-ene?
The InChIKey is LULJTJRBVAURTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-6-8-9-10(7-2)11(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 3-ethyl-2,2-dimethylhept-3-ene?
3-ethyl-2,2-dimethylhept-3-ene has a molecular weight of 154.30 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2-dimethylhept-3-ene is sourced from PubChem (CID 54053277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).