3-ethyl-2,6-dimethylhept-1-ene

C11H22 — CID 90967832

IUPAC3-ethyl-2,6-dimethylhept-1-ene
SMILESC=C(C)C(CC)CCC(C)C
InChIInChI=1S/C11H22/c1-6-11(10(4)5)8-7-9(2)3/h9,11H,4,6-8H2,1-3,5H3
InChIKeyYFNMWSXOISBTTB-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.02
Rot. Bonds5

About 3-ethyl-2,6-dimethylhept-1-ene

3-ethyl-2,6-dimethylhept-1-ene (PubChem CID 90967832) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 3-ethyl-2,6-dimethylhept-1-ene.

Molecular Properties

Compound Name3-ethyl-2,6-dimethylhept-1-ene
PubChem CID90967832
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name3-ethyl-2,6-dimethylhept-1-ene
SMILESC=C(C)C(CC)CCC(C)C
InChIInChI=1S/C11H22/c1-6-11(10(4)5)8-7-9(2)3/h9,11H,4,6-8H2,1-3,5H3
InChIKeyYFNMWSXOISBTTB-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-ethyl-2,6-dimethylhept-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,6-dimethylhept-1-ene?
The IUPAC name of 3-ethyl-2,6-dimethylhept-1-ene (CID 90967832) is 3-ethyl-2,6-dimethylhept-1-ene.
What is the SMILES notation for 3-ethyl-2,6-dimethylhept-1-ene?
The canonical SMILES for 3-ethyl-2,6-dimethylhept-1-ene is C=C(C)C(CC)CCC(C)C.
What is the InChIKey of 3-ethyl-2,6-dimethylhept-1-ene?
The InChIKey is YFNMWSXOISBTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-6-11(10(4)5)8-7-9(2)3/h9,11H,4,6-8H2,1-3,5H3.
What are the key properties of 3-ethyl-2,6-dimethylhept-1-ene?
3-ethyl-2,6-dimethylhept-1-ene has a molecular weight of 154.30 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,6-dimethylhept-1-ene is sourced from PubChem (CID 90967832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).