(2E,5E)-2-ethoxy-6-methylocta-2,5-diene;(5E)-2-ethoxy-6-methylocta-1,5-diene

C22H40O2 — CID 158027409

IUPAC(2E,5E)-2-ethoxy-6-methylocta-2,5-diene;(5E)-2-ethoxy-6-methylocta-1,5-diene
SMILESC=C(CC/C=C(\C)CC)OCC.CCO/C(C)=C/C/C=C(\C)CC
InChIInChI=1S/2C11H20O/c2*1-5-10(3)8-7-9-11(4)12-6-2/h8-9H,5-7H2,1-4H3;8H,4-7,9H2,1-3H3/b10-8+,11-9+;10-8+
InChIKeyFGTOADQBRMRYKQ-BZGDPHELSA-N
MW336.56 g/mol
LogP7.35
Rot. Bonds11

About (2E,5E)-2-ethoxy-6-methylocta-2,5-diene;(5E)-2-ethoxy-6-methylocta-1,5-diene

(2E,5E)-2-ethoxy-6-methylocta-2,5-diene;(5E)-2-ethoxy-6-methylocta-1,5-diene (PubChem CID 158027409) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is (2E,5E)-2-ethoxy-6-methylocta-2,5-diene;(5E)-2-ethoxy-6-methylocta-1,5-diene.

Molecular Properties

Compound Name(2E,5E)-2-ethoxy-6-methylocta-2,5-diene;(5E)-2-ethoxy-6-methylocta-1,5-diene
PubChem CID158027409
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Name(2E,5E)-2-ethoxy-6-methylocta-2,5-diene;(5E)-2-ethoxy-6-methylocta-1,5-diene
SMILESC=C(CC/C=C(\C)CC)OCC.CCO/C(C)=C/C/C=C(\C)CC
InChIInChI=1S/2C11H20O/c2*1-5-10(3)8-7-9-11(4)12-6-2/h8-9H,5-7H2,1-4H3;8H,4-7,9H2,1-3H3/b10-8+,11-9+;10-8+
InChIKeyFGTOADQBRMRYKQ-BZGDPHELSA-N
XLogP7.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
CID 137395501
2,6-dimethylocta-1,5-diene
CID 54025904
ethyl (Z)-5-methylhept-4-enoate
CID 11116490
ethyl (2E,6Z)-3,7-dimethylnona-2,6-dienoate
CID 2297686
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
ethane;ethyl (5E)-2-ethenyl-6-methylocta-2,5-dienoate
CID 145190692
8-methyl-4-methylidenedeca-1,7-diene
CID 152634439
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene
CID 22236783
(E)-4-methylhex-3-en-1-amine
CID 63969892
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-2-ethoxy-6-methylocta-2,5-diene;(5E)-2-ethoxy-6-methylocta-1,5-diene?
The IUPAC name of (2E,5E)-2-ethoxy-6-methylocta-2,5-diene;(5E)-2-ethoxy-6-methylocta-1,5-diene (CID 158027409) is (2E,5E)-2-ethoxy-6-methylocta-2,5-diene;(5E)-2-ethoxy-6-methylocta-1,5-diene.
What is the SMILES notation for (2E,5E)-2-ethoxy-6-methylocta-2,5-diene;(5E)-2-ethoxy-6-methylocta-1,5-diene?
The canonical SMILES for (2E,5E)-2-ethoxy-6-methylocta-2,5-diene;(5E)-2-ethoxy-6-methylocta-1,5-diene is C=C(CC/C=C(\C)CC)OCC.CCO/C(C)=C/C/C=C(\C)CC.
What is the InChIKey of (2E,5E)-2-ethoxy-6-methylocta-2,5-diene;(5E)-2-ethoxy-6-methylocta-1,5-diene?
The InChIKey is FGTOADQBRMRYKQ-BZGDPHELSA-N. The full InChI is InChI=1S/2C11H20O/c2*1-5-10(3)8-7-9-11(4)12-6-2/h8-9H,5-7H2,1-4H3;8H,4-7,9H2,1-3H3/b10-8+,11-9+;10-8+.
What are the key properties of (2E,5E)-2-ethoxy-6-methylocta-2,5-diene;(5E)-2-ethoxy-6-methylocta-1,5-diene?
(2E,5E)-2-ethoxy-6-methylocta-2,5-diene;(5E)-2-ethoxy-6-methylocta-1,5-diene has a molecular weight of 336.56 g/mol, XLogP of 7.35, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-2-ethoxy-6-methylocta-2,5-diene;(5E)-2-ethoxy-6-methylocta-1,5-diene is sourced from PubChem (CID 158027409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).