3-ethenyl-3,7-dimethylocta-1,6-diene

C12H20 — CID 13122887

IUPAC3-ethenyl-3,7-dimethylocta-1,6-diene
SMILESC=CC(C)(C=C)CCC=C(C)C
InChIInChI=1S/C12H20/c1-6-12(5,7-2)10-8-9-11(3)4/h6-7,9H,1-2,8,10H2,3-5H3
InChIKeyQWMIXMXWWOHPAT-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.11
Rot. Bonds5

About 3-ethenyl-3,7-dimethylocta-1,6-diene

3-ethenyl-3,7-dimethylocta-1,6-diene (PubChem CID 13122887) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 3-ethenyl-3,7-dimethylocta-1,6-diene.

Molecular Properties

Compound Name3-ethenyl-3,7-dimethylocta-1,6-diene
PubChem CID13122887
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name3-ethenyl-3,7-dimethylocta-1,6-diene
SMILESC=CC(C)(C=C)CCC=C(C)C
InChIInChI=1S/C12H20/c1-6-12(5,7-2)10-8-9-11(3)4/h6-7,9H,1-2,8,10H2,3-5H3
InChIKeyQWMIXMXWWOHPAT-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.11
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

4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]benzene-1,2-diol
CID 56833075
4-ethenyl-4,8-dimethylnon-7-en-2-ol
CID 10397794
3,7-dimethylocta-1,6-dien-3-ol;hexane
CID 135305503
4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol
CID 10966171
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
acetic acid;3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene
CID 174957070
6-ethenyl-2,6-dimethyl-8-methylidenedec-2-ene
CID 154718981
1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol
CID 139888264
(4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol
CID 24977374
6-methoxy-2,6-dimethylhept-2-ene
CID 14793993
2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol
CID 12009845
1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene
CID 76549407

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3,7-dimethylocta-1,6-diene?
The IUPAC name of 3-ethenyl-3,7-dimethylocta-1,6-diene (CID 13122887) is 3-ethenyl-3,7-dimethylocta-1,6-diene.
What is the SMILES notation for 3-ethenyl-3,7-dimethylocta-1,6-diene?
The canonical SMILES for 3-ethenyl-3,7-dimethylocta-1,6-diene is C=CC(C)(C=C)CCC=C(C)C.
What is the InChIKey of 3-ethenyl-3,7-dimethylocta-1,6-diene?
The InChIKey is QWMIXMXWWOHPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-6-12(5,7-2)10-8-9-11(3)4/h6-7,9H,1-2,8,10H2,3-5H3.
What are the key properties of 3-ethenyl-3,7-dimethylocta-1,6-diene?
3-ethenyl-3,7-dimethylocta-1,6-diene has a molecular weight of 164.29 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3,7-dimethylocta-1,6-diene is sourced from PubChem (CID 13122887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).