(E)-2,2,6,6-tetramethylhept-3-ene

C11H22 — CID 20740439

IUPAC(E)-2,2,6,6-tetramethylhept-3-ene
SMILESCC(C)(C)/C=C/CC(C)(C)C
InChIInChI=1S/C11H22/c1-10(2,3)8-7-9-11(4,5)6/h7-8H,9H2,1-6H3/b8-7+
InChIKeyUJUYCQSFPMXFCI-BQYQJAHWSA-N
MW154.30 g/mol
LogP4.02
Rot. Bonds1

About (E)-2,2,6,6-tetramethylhept-3-ene

(E)-2,2,6,6-tetramethylhept-3-ene (PubChem CID 20740439) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is (E)-2,2,6,6-tetramethylhept-3-ene.

Molecular Properties

Compound Name(E)-2,2,6,6-tetramethylhept-3-ene
PubChem CID20740439
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name(E)-2,2,6,6-tetramethylhept-3-ene
SMILESCC(C)(C)/C=C/CC(C)(C)C
InChIInChI=1S/C11H22/c1-10(2,3)8-7-9-11(4,5)6/h7-8H,9H2,1-6H3/b8-7+
InChIKeyUJUYCQSFPMXFCI-BQYQJAHWSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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 (E)-2,2,6,6-tetramethylhept-3-ene with MolForge

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

Launch Full Analysis

Related Compounds

Humulene
CID 5281520
3,4,4-Trimethyl-2-pentene
CID 11738
2-Methyl-3-heptene, (3E)-
CID 5357255
4-Octene, (4E)-
CID 5357253
4-Octene, (4Z)-
CID 5364446
3-Hexene, 2,2-dimethyl-, (Z)-
CID 5357260
2,4,4,6,6-Pentamethyl-2-heptene
CID 170244
3-Hexene, 2,2-dimethyl-
CID 5357261
3,5,5-Trimethyl-2-hexene
CID 5365055
2,6,6,9-Tetramethyl-cycloundeca-1,4,8-triene
CID 6508206
(E)-2,2-Dimethylhept-3-ene
CID 5352650
3,4,4-Trimethyl-2-pentene, (2E)-
CID 5357254

Frequently Asked Questions

What is the IUPAC name of (E)-2,2,6,6-tetramethylhept-3-ene?
The IUPAC name of (E)-2,2,6,6-tetramethylhept-3-ene (CID 20740439) is (E)-2,2,6,6-tetramethylhept-3-ene.
What is the SMILES notation for (E)-2,2,6,6-tetramethylhept-3-ene?
The canonical SMILES for (E)-2,2,6,6-tetramethylhept-3-ene is CC(C)(C)/C=C/CC(C)(C)C.
What is the InChIKey of (E)-2,2,6,6-tetramethylhept-3-ene?
The InChIKey is UJUYCQSFPMXFCI-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H22/c1-10(2,3)8-7-9-11(4,5)6/h7-8H,9H2,1-6H3/b8-7+.
What are the key properties of (E)-2,2,6,6-tetramethylhept-3-ene?
(E)-2,2,6,6-tetramethylhept-3-ene has a molecular weight of 154.30 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2,6,6-tetramethylhept-3-ene is sourced from PubChem (CID 20740439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).