3-ethyl-6,6-dimethylhept-3-ene

C11H22 — CID 123896085

IUPAC3-ethyl-6,6-dimethylhept-3-ene
SMILESCCC(=CCC(C)(C)C)CC
InChIInChI=1S/C11H22/c1-6-10(7-2)8-9-11(3,4)5/h8H,6-7,9H2,1-5H3
InChIKeyQDLQQHBALOGGHO-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.17
Rot. Bonds3

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

3-ethyl-6,6-dimethylhept-3-ene (PubChem CID 123896085) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 3-ethyl-6,6-dimethylhept-3-ene.

Molecular Properties

Compound Name3-ethyl-6,6-dimethylhept-3-ene
PubChem CID123896085
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name3-ethyl-6,6-dimethylhept-3-ene
SMILESCCC(=CCC(C)(C)C)CC
InChIInChI=1S/C11H22/c1-6-10(7-2)8-9-11(3,4)5/h8H,6-7,9H2,1-5H3
InChIKeyQDLQQHBALOGGHO-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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Related Compounds

Humulene
CID 5281520
2,4,4-Trimethyl-2-pentene
CID 7869
3,4,4-Trimethyl-2-pentene
CID 11738
Geraniolene
CID 81203
beta-Humulene
CID 5318102
1,3,5,5-Tetramethyl-1,3-cyclohexadiene
CID 78453
1,5-Cyclooctadiene, 1,5-dimethyl-
CID 5365758
2,6,10-Trimethyldodeca-2,6,10-triene
CID 4475483
2-Methyl-2-heptene
CID 12330
2-Hexene, 2,5-dimethyl-
CID 18853
2,4,4,6,6-Pentamethyl-2-heptene
CID 170244
7-Methyl-1,6-octadiene
CID 557579

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,6-dimethylhept-3-ene?
The IUPAC name of 3-ethyl-6,6-dimethylhept-3-ene (CID 123896085) is 3-ethyl-6,6-dimethylhept-3-ene.
What is the SMILES notation for 3-ethyl-6,6-dimethylhept-3-ene?
The canonical SMILES for 3-ethyl-6,6-dimethylhept-3-ene is CCC(=CCC(C)(C)C)CC.
What is the InChIKey of 3-ethyl-6,6-dimethylhept-3-ene?
The InChIKey is QDLQQHBALOGGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-6-10(7-2)8-9-11(3,4)5/h8H,6-7,9H2,1-5H3.
What are the key properties of 3-ethyl-6,6-dimethylhept-3-ene?
3-ethyl-6,6-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-6,6-dimethylhept-3-ene is sourced from PubChem (CID 123896085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).