(3Z,5Z)-8-(methoxymethoxy)octa-1,3,5-triene

C10H16O2 — CID 89324350

IUPAC(3Z,5Z)-8-(methoxymethoxy)octa-1,3,5-triene
SMILESC=C/C=C\C=C/CCOCOC
InChIInChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-12-10-11-2/h3-7H,1,8-10H2,2H3/b5-4-,7-6-
InChIKeyAFYGGXLDQWYXHD-RZSVFLSASA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds7

About (3Z,5Z)-8-(methoxymethoxy)octa-1,3,5-triene

(3Z,5Z)-8-(methoxymethoxy)octa-1,3,5-triene (PubChem CID 89324350) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3Z,5Z)-8-(methoxymethoxy)octa-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-8-(methoxymethoxy)octa-1,3,5-triene
PubChem CID89324350
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3Z,5Z)-8-(methoxymethoxy)octa-1,3,5-triene
SMILESC=C/C=C\C=C/CCOCOC
InChIInChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-12-10-11-2/h3-7H,1,8-10H2,2H3/b5-4-,7-6-
InChIKeyAFYGGXLDQWYXHD-RZSVFLSASA-N
XLogP2.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-8-(methoxymethoxy)octa-1,3,5-triene?
The IUPAC name of (3Z,5Z)-8-(methoxymethoxy)octa-1,3,5-triene (CID 89324350) is (3Z,5Z)-8-(methoxymethoxy)octa-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-8-(methoxymethoxy)octa-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-8-(methoxymethoxy)octa-1,3,5-triene is C=C/C=C\C=C/CCOCOC.
What is the InChIKey of (3Z,5Z)-8-(methoxymethoxy)octa-1,3,5-triene?
The InChIKey is AFYGGXLDQWYXHD-RZSVFLSASA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-12-10-11-2/h3-7H,1,8-10H2,2H3/b5-4-,7-6-.
What are the key properties of (3Z,5Z)-8-(methoxymethoxy)octa-1,3,5-triene?
(3Z,5Z)-8-(methoxymethoxy)octa-1,3,5-triene has a molecular weight of 168.24 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-8-(methoxymethoxy)octa-1,3,5-triene is sourced from PubChem (CID 89324350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).