(E,6S)-2,6,7-trimethyloct-3-ene

C11H22 — CID 161076844

IUPAC(E,6S)-2,6,7-trimethyloct-3-ene
SMILESCC(C)/C=C/C[C@H](C)C(C)C
InChIInChI=1S/C11H22/c1-9(2)7-6-8-11(5)10(3)4/h6-7,9-11H,8H2,1-5H3/b7-6+/t11-/m0/s1
InChIKeyVQIVFBLWAOJERC-MLRMMBSGSA-N
MW154.30 g/mol
LogP3.88
Rot. Bonds4

About (E,6S)-2,6,7-trimethyloct-3-ene

(E,6S)-2,6,7-trimethyloct-3-ene (PubChem CID 161076844) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is (E,6S)-2,6,7-trimethyloct-3-ene.

Molecular Properties

Compound Name(E,6S)-2,6,7-trimethyloct-3-ene
PubChem CID161076844
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name(E,6S)-2,6,7-trimethyloct-3-ene
SMILESCC(C)/C=C/C[C@H](C)C(C)C
InChIInChI=1S/C11H22/c1-9(2)7-6-8-11(5)10(3)4/h6-7,9-11H,8H2,1-5H3/b7-6+/t11-/m0/s1
InChIKeyVQIVFBLWAOJERC-MLRMMBSGSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E,6S)-2,6,7-trimethyloct-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

(E)-7,7-difluoro-2,6-dimethylhept-3-ene
CID 139440730
(E)-3,7-dimethyloct-5-en-2-ol
CID 138394974
3,7,8-trimethylnon-4-ene
CID 91465939
(E)-2,6-dimethylhept-3-ene
CID 5364654
(E)-2,6-dimethylhept-3-ene;methane
CID 158228697
(Z)-6-fluoro-2-methylhept-3-ene
CID 163783522
(7E,10E)-2,4,5,12-tetramethyltrideca-7,10-dien-3-amine
CID 155264326
(3Z)-6,7-dimethylocta-1,3-diene
CID 145174537
4,8-dimethylnona-2,6-diene
CID 54128177
2,6,7-trimethylocta-1,3-diene
CID 123885530
(E)-2-amino-6-methylhept-4-en-1-ol
CID 55254356
2-methyldodeca-3,6,9-triene
CID 141042273

Frequently Asked Questions

What is the IUPAC name of (E,6S)-2,6,7-trimethyloct-3-ene?
The IUPAC name of (E,6S)-2,6,7-trimethyloct-3-ene (CID 161076844) is (E,6S)-2,6,7-trimethyloct-3-ene.
What is the SMILES notation for (E,6S)-2,6,7-trimethyloct-3-ene?
The canonical SMILES for (E,6S)-2,6,7-trimethyloct-3-ene is CC(C)/C=C/C[C@H](C)C(C)C.
What is the InChIKey of (E,6S)-2,6,7-trimethyloct-3-ene?
The InChIKey is VQIVFBLWAOJERC-MLRMMBSGSA-N. The full InChI is InChI=1S/C11H22/c1-9(2)7-6-8-11(5)10(3)4/h6-7,9-11H,8H2,1-5H3/b7-6+/t11-/m0/s1.
What are the key properties of (E,6S)-2,6,7-trimethyloct-3-ene?
(E,6S)-2,6,7-trimethyloct-3-ene has a molecular weight of 154.30 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6S)-2,6,7-trimethyloct-3-ene is sourced from PubChem (CID 161076844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).