2,6-dimethyl-1-(2-methylpropoxy)octa-2,6-diene

C14H26O — CID 123255023

IUPAC2,6-dimethyl-1-(2-methylpropoxy)octa-2,6-diene
SMILESCC=C(C)CCC=C(C)COCC(C)C
InChIInChI=1S/C14H26O/c1-6-13(4)8-7-9-14(5)11-15-10-12(2)3/h6,9,12H,7-8,10-11H2,1-5H3
InChIKeyOZIWXUBABPKPFO-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.35
Rot. Bonds7

About 2,6-dimethyl-1-(2-methylpropoxy)octa-2,6-diene

2,6-dimethyl-1-(2-methylpropoxy)octa-2,6-diene (PubChem CID 123255023) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2,6-dimethyl-1-(2-methylpropoxy)octa-2,6-diene.

Molecular Properties

Compound Name2,6-dimethyl-1-(2-methylpropoxy)octa-2,6-diene
PubChem CID123255023
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2,6-dimethyl-1-(2-methylpropoxy)octa-2,6-diene
SMILESCC=C(C)CCC=C(C)COCC(C)C
InChIInChI=1S/C14H26O/c1-6-13(4)8-7-9-14(5)11-15-10-12(2)3/h6,9,12H,7-8,10-11H2,1-5H3
InChIKeyOZIWXUBABPKPFO-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-1-(2-methylpropoxy)octa-2,6-diene 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

[(2E,6E)-2,6-dimethylocta-2,6-dienyl] acetate
CID 88547676
magnesium;3,7,11-trimethyldodeca-2,6-diene;dichloride
CID 174246815
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene
CID 13409854
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
2,6-dimethylocta-2,6-dienyl prop-2-enoate
CID 54293274
(6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene
CID 90239470
(2E,6E)-3,7-dimethyl-8-prop-2-enoxyocta-2,6-dien-1-ol
CID 164608860
ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene
CID 145317511
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
3,7,11-trimethylhexadeca-2,6,10-triene
CID 54031242

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(2-methylpropoxy)octa-2,6-diene?
The IUPAC name of 2,6-dimethyl-1-(2-methylpropoxy)octa-2,6-diene (CID 123255023) is 2,6-dimethyl-1-(2-methylpropoxy)octa-2,6-diene.
What is the SMILES notation for 2,6-dimethyl-1-(2-methylpropoxy)octa-2,6-diene?
The canonical SMILES for 2,6-dimethyl-1-(2-methylpropoxy)octa-2,6-diene is CC=C(C)CCC=C(C)COCC(C)C.
What is the InChIKey of 2,6-dimethyl-1-(2-methylpropoxy)octa-2,6-diene?
The InChIKey is OZIWXUBABPKPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-6-13(4)8-7-9-14(5)11-15-10-12(2)3/h6,9,12H,7-8,10-11H2,1-5H3.
What are the key properties of 2,6-dimethyl-1-(2-methylpropoxy)octa-2,6-diene?
2,6-dimethyl-1-(2-methylpropoxy)octa-2,6-diene has a molecular weight of 210.36 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(2-methylpropoxy)octa-2,6-diene is sourced from PubChem (CID 123255023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).