(2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene

C11H18O2 — CID 88966150

IUPAC(2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene
SMILESC/C=C\C=C/C=C/COCCOC
InChIInChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-13-11-10-12-2/h3-8H,9-11H2,1-2H3/b4-3-,6-5-,8-7+
InChIKeyNTTDPKXNOGOSOG-YUHUOFHPSA-N
MW182.26 g/mol
LogP2.34
Rot. Bonds7

About (2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene

(2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene (PubChem CID 88966150) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene.

Molecular Properties

Compound Name(2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene
PubChem CID88966150
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene
SMILESC/C=C\C=C/C=C/COCCOC
InChIInChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-13-11-10-12-2/h3-8H,9-11H2,1-2H3/b4-3-,6-5-,8-7+
InChIKeyNTTDPKXNOGOSOG-YUHUOFHPSA-N
XLogP2.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2E,4E)-hexa-2,4-dienoxy]octane
CID 122683183
4-(2-methoxyethoxy)but-2-en-1-amine
CID 77110475
(2E,4E)-1-pent-4-enoxyhexa-2,4-diene
CID 101180085
(2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene
CID 13113516
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
(2E,4E)-1-pent-2-ynoxyhexa-2,4-diene
CID 10583159
(2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene
CID 100935806
2-[2-(2-methoxyethoxy)ethoxy]acetaldehyde
CID 10607071
(6E)-8-(2-methoxyethoxy)octa-1,6-diene
CID 11344418
(1E,3E,5E,7E)-1-methoxynona-1,3,5,7-tetraene
CID 6440136

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene?
The IUPAC name of (2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene (CID 88966150) is (2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene.
What is the SMILES notation for (2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene?
The canonical SMILES for (2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene is C/C=C\C=C/C=C/COCCOC.
What is the InChIKey of (2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene?
The InChIKey is NTTDPKXNOGOSOG-YUHUOFHPSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-13-11-10-12-2/h3-8H,9-11H2,1-2H3/b4-3-,6-5-,8-7+.
What are the key properties of (2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene?
(2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene has a molecular weight of 182.26 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene is sourced from PubChem (CID 88966150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).