3-ethyl-3-methylocta-1,4,6-triene

C11H18 — CID 123900148

IUPAC3-ethyl-3-methylocta-1,4,6-triene
SMILESC=CC(C)(C=CC=CC)CC
InChIInChI=1S/C11H18/c1-5-8-9-10-11(4,6-2)7-3/h5-6,8-10H,2,7H2,1,3-4H3
InChIKeyRKGXMKZVGYMQPP-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.72
Rot. Bonds4

About 3-ethyl-3-methylocta-1,4,6-triene

3-ethyl-3-methylocta-1,4,6-triene (PubChem CID 123900148) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 3-ethyl-3-methylocta-1,4,6-triene.

Molecular Properties

Compound Name3-ethyl-3-methylocta-1,4,6-triene
PubChem CID123900148
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name3-ethyl-3-methylocta-1,4,6-triene
SMILESC=CC(C)(C=CC=CC)CC
InChIInChI=1S/C11H18/c1-5-8-9-10-11(4,6-2)7-3/h5-6,8-10H,2,7H2,1,3-4H3
InChIKeyRKGXMKZVGYMQPP-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-methylocta-4,6-dien-3-ol
CID 71319596
N-[(1Z)-3-ethyl-3-methylpenta-1,4-dienyl]ethanimine
CID 153397886
3-ethyl-3-methylnona-1,5,7-triene
CID 123256755
(4E)-hexa-2,4-diene
CID 22435466
methane;(3E)-penta-1,3-diene;propane
CID 143129609
ethane;penta-1,3-diene;propane
CID 143367111
3,3-dimethylpent-1-ene;ethane
CID 142059460
(2Z,4Z)-hexa-2,4-diene;2-methylpropane-2-thiol;(Z)-prop-1-en-1-amine;prop-1-ene
CID 142305259
(3E,5E,7E)-4-ethylnona-1,3,5,7-tetraene
CID 143912648
N-[(1Z,4Z)-3-ethyl-3-methylhexa-1,4-dienyl]ethanimine
CID 143703521
(5E,7E)-3,3-dimethylnona-1,5,7-trien-4-one
CID 100937637
(2E,4Z,6Z)-1,1,1-trifluoroocta-2,4,6-triene
CID 143910776

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methylocta-1,4,6-triene?
The IUPAC name of 3-ethyl-3-methylocta-1,4,6-triene (CID 123900148) is 3-ethyl-3-methylocta-1,4,6-triene.
What is the SMILES notation for 3-ethyl-3-methylocta-1,4,6-triene?
The canonical SMILES for 3-ethyl-3-methylocta-1,4,6-triene is C=CC(C)(C=CC=CC)CC.
What is the InChIKey of 3-ethyl-3-methylocta-1,4,6-triene?
The InChIKey is RKGXMKZVGYMQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-5-8-9-10-11(4,6-2)7-3/h5-6,8-10H,2,7H2,1,3-4H3.
What are the key properties of 3-ethyl-3-methylocta-1,4,6-triene?
3-ethyl-3-methylocta-1,4,6-triene has a molecular weight of 150.26 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methylocta-1,4,6-triene is sourced from PubChem (CID 123900148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).