(E)-5,5-diethylhept-2-ene

C11H22 — CID 166437205

IUPAC(E)-5,5-diethylhept-2-ene
SMILESC/C=C/CC(CC)(CC)CC
InChIInChI=1S/C11H22/c1-5-9-10-11(6-2,7-3)8-4/h5,9H,6-8,10H2,1-4H3/b9-5+
InChIKeyXJKADMPBYAISBX-WEVVVXLNSA-N
MW154.30 g/mol
LogP4.17
Rot. Bonds5

About (E)-5,5-diethylhept-2-ene

(E)-5,5-diethylhept-2-ene (PubChem CID 166437205) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is (E)-5,5-diethylhept-2-ene.

Molecular Properties

Compound Name(E)-5,5-diethylhept-2-ene
PubChem CID166437205
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name(E)-5,5-diethylhept-2-ene
SMILESC/C=C/CC(CC)(CC)CC
InChIInChI=1S/C11H22/c1-5-9-10-11(6-2,7-3)8-4/h5,9H,6-8,10H2,1-4H3/b9-5+
InChIKeyXJKADMPBYAISBX-WEVVVXLNSA-N
XLogP4.17
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 ≤ 54.17
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
3,5,5-Trimethylcyclohexene
CID 79132
4-Tert-butylcyclohex-1-ene
CID 16688
2,4,4,6,6-Pentamethyl-2-heptene
CID 170244
3,5,5-Trimethyl-2-hexene
CID 5365055
2,6,6,9-Tetramethyl-cycloundeca-1,4,8-triene
CID 6508206
3,3,5-Trimethylcyclohexene
CID 79031
4,4-Dimethyl-1-hexene
CID 137136
beta-Pyronene
CID 228342
(E)-2,2-Dimethylhept-3-ene
CID 5352650
2,2,4,6,6-Pentamethyl-3-heptene
CID 31259
(1E,4E,8Z)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
CID 6187145

Frequently Asked Questions

What is the IUPAC name of (E)-5,5-diethylhept-2-ene?
The IUPAC name of (E)-5,5-diethylhept-2-ene (CID 166437205) is (E)-5,5-diethylhept-2-ene.
What is the SMILES notation for (E)-5,5-diethylhept-2-ene?
The canonical SMILES for (E)-5,5-diethylhept-2-ene is C/C=C/CC(CC)(CC)CC.
What is the InChIKey of (E)-5,5-diethylhept-2-ene?
The InChIKey is XJKADMPBYAISBX-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H22/c1-5-9-10-11(6-2,7-3)8-4/h5,9H,6-8,10H2,1-4H3/b9-5+.
What are the key properties of (E)-5,5-diethylhept-2-ene?
(E)-5,5-diethylhept-2-ene has a molecular weight of 154.30 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5-diethylhept-2-ene is sourced from PubChem (CID 166437205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).