(Z)-2,2,7-trimethyloct-4-ene

C11H22 — CID 135040545

IUPAC(Z)-2,2,7-trimethyloct-4-ene
SMILESCC(C)C/C=C\CC(C)(C)C
InChIInChI=1S/C11H22/c1-10(2)8-6-7-9-11(3,4)5/h6-7,10H,8-9H2,1-5H3/b7-6-
InChIKeyVQWLUPUSXWRZDE-SREVYHEPSA-N
MW154.30 g/mol
LogP4.02
Rot. Bonds3

About (Z)-2,2,7-trimethyloct-4-ene

(Z)-2,2,7-trimethyloct-4-ene (PubChem CID 135040545) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is (Z)-2,2,7-trimethyloct-4-ene.

Molecular Properties

Compound Name(Z)-2,2,7-trimethyloct-4-ene
PubChem CID135040545
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name(Z)-2,2,7-trimethyloct-4-ene
SMILESCC(C)C/C=C\CC(C)(C)C
InChIInChI=1S/C11H22/c1-10(2)8-6-7-9-11(3,4)5/h6-7,10H,8-9H2,1-5H3/b7-6-
InChIKeyVQWLUPUSXWRZDE-SREVYHEPSA-N
XLogP4.02
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 ≤ 54.02
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
3,4,4-Trimethyl-2-pentene
CID 11738
2,3-Dimethyl-1,4-hexadiene
CID 5368910
2-Methyl-3-heptene, (3E)-
CID 5357255
2-Hexene, 2,5-dimethyl-
CID 18853
3-Hexene, 2,2-dimethyl-, (Z)-
CID 5357260
3-Hexene, 2,2-dimethyl-
CID 5357261
2,6,6,9-Tetramethyl-cycloundeca-1,4,8-triene
CID 6508206
5-Methyl-2-hexene
CID 5357252
(E)-2,2-Dimethylhept-3-ene
CID 5352650
4-Methyl-2-hexene
CID 5357249
4-Methyl-2-hexene, (Z)-
CID 5357251

Frequently Asked Questions

What is the IUPAC name of (Z)-2,2,7-trimethyloct-4-ene?
The IUPAC name of (Z)-2,2,7-trimethyloct-4-ene (CID 135040545) is (Z)-2,2,7-trimethyloct-4-ene.
What is the SMILES notation for (Z)-2,2,7-trimethyloct-4-ene?
The canonical SMILES for (Z)-2,2,7-trimethyloct-4-ene is CC(C)C/C=C\CC(C)(C)C.
What is the InChIKey of (Z)-2,2,7-trimethyloct-4-ene?
The InChIKey is VQWLUPUSXWRZDE-SREVYHEPSA-N. The full InChI is InChI=1S/C11H22/c1-10(2)8-6-7-9-11(3,4)5/h6-7,10H,8-9H2,1-5H3/b7-6-.
What are the key properties of (Z)-2,2,7-trimethyloct-4-ene?
(Z)-2,2,7-trimethyloct-4-ene has a molecular weight of 154.30 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,7-trimethyloct-4-ene is sourced from PubChem (CID 135040545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).