(2E,5E)-2-ethoxy-6-methylocta-2,5-diene

C11H20O — CID 137395501

IUPAC(2E,5E)-2-ethoxy-6-methylocta-2,5-diene
SMILESCCO/C(C)=C/C/C=C(\C)CC
InChIInChI=1S/C11H20O/c1-5-10(3)8-7-9-11(4)12-6-2/h8-9H,5-7H2,1-4H3/b10-8+,11-9+
InChIKeyUQQXSLMIJLVHCD-GFULKKFKSA-N
MW168.28 g/mol
LogP3.67
Rot. Bonds5

About (2E,5E)-2-ethoxy-6-methylocta-2,5-diene

(2E,5E)-2-ethoxy-6-methylocta-2,5-diene (PubChem CID 137395501) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2E,5E)-2-ethoxy-6-methylocta-2,5-diene.

Molecular Properties

Compound Name(2E,5E)-2-ethoxy-6-methylocta-2,5-diene
PubChem CID137395501
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2E,5E)-2-ethoxy-6-methylocta-2,5-diene
SMILESCCO/C(C)=C/C/C=C(\C)CC
InChIInChI=1S/C11H20O/c1-5-10(3)8-7-9-11(4)12-6-2/h8-9H,5-7H2,1-4H3/b10-8+,11-9+
InChIKeyUQQXSLMIJLVHCD-GFULKKFKSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2E,5E)-2-ethoxy-6-methylocta-2,5-diene;(5E)-2-ethoxy-6-methylocta-1,5-diene
CID 158027409
ethane;ethyl (5E)-2-ethenyl-6-methylocta-2,5-dienoate
CID 145190692
2-ethoxybut-2-ene;silane
CID 174428196
3-methylpent-2-en-1-amine
CID 76997051
ethyl (Z)-5-methylhept-4-enoate
CID 11116490
(E)-5-ethoxyhex-4-en-1-yne
CID 134893570
(2Z,5Z)-1-methoxy-6-methylocta-2,5-diene
CID 142244448
ethane;(E)-3-methylpent-2-en-1-amine
CID 143325002
ethyl (2E,6Z)-3,7-dimethylnona-2,6-dienoate
CID 2297686
methane;(Z)-3-methylhex-3-ene
CID 168892321
methane;(E)-3-methylhex-3-ene
CID 157350431
2-ethoxy-6,10-dimethylundeca-2,4,6,9-tetraene
CID 54102571

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-2-ethoxy-6-methylocta-2,5-diene?
The IUPAC name of (2E,5E)-2-ethoxy-6-methylocta-2,5-diene (CID 137395501) is (2E,5E)-2-ethoxy-6-methylocta-2,5-diene.
What is the SMILES notation for (2E,5E)-2-ethoxy-6-methylocta-2,5-diene?
The canonical SMILES for (2E,5E)-2-ethoxy-6-methylocta-2,5-diene is CCO/C(C)=C/C/C=C(\C)CC.
What is the InChIKey of (2E,5E)-2-ethoxy-6-methylocta-2,5-diene?
The InChIKey is UQQXSLMIJLVHCD-GFULKKFKSA-N. The full InChI is InChI=1S/C11H20O/c1-5-10(3)8-7-9-11(4)12-6-2/h8-9H,5-7H2,1-4H3/b10-8+,11-9+.
What are the key properties of (2E,5E)-2-ethoxy-6-methylocta-2,5-diene?
(2E,5E)-2-ethoxy-6-methylocta-2,5-diene has a molecular weight of 168.28 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-2-ethoxy-6-methylocta-2,5-diene is sourced from PubChem (CID 137395501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).