(2Z)-2-ethenyl-3-(methoxymethoxy)penta-2,4-dienal

C9H12O3 — CID 134216657

IUPAC(2Z)-2-ethenyl-3-(methoxymethoxy)penta-2,4-dienal
SMILESC=C/C(C=O)=C(\C=C)OCOC
InChIInChI=1S/C9H12O3/c1-4-8(6-10)9(5-2)12-7-11-3/h4-6H,1-2,7H2,3H3/b9-8-
InChIKeyUHWKVILWJMFEBF-HJWRWDBZSA-N
MW168.19 g/mol
LogP1.43
Rot. Bonds6

About (2Z)-2-ethenyl-3-(methoxymethoxy)penta-2,4-dienal

(2Z)-2-ethenyl-3-(methoxymethoxy)penta-2,4-dienal (PubChem CID 134216657) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is (2Z)-2-ethenyl-3-(methoxymethoxy)penta-2,4-dienal.

Molecular Properties

Compound Name(2Z)-2-ethenyl-3-(methoxymethoxy)penta-2,4-dienal
PubChem CID134216657
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name(2Z)-2-ethenyl-3-(methoxymethoxy)penta-2,4-dienal
SMILESC=C/C(C=O)=C(\C=C)OCOC
InChIInChI=1S/C9H12O3/c1-4-8(6-10)9(5-2)12-7-11-3/h4-6H,1-2,7H2,3H3/b9-8-
InChIKeyUHWKVILWJMFEBF-HJWRWDBZSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethenyl-3-(methoxymethoxy)penta-2,4-dienal?
The IUPAC name of (2Z)-2-ethenyl-3-(methoxymethoxy)penta-2,4-dienal (CID 134216657) is (2Z)-2-ethenyl-3-(methoxymethoxy)penta-2,4-dienal.
What is the SMILES notation for (2Z)-2-ethenyl-3-(methoxymethoxy)penta-2,4-dienal?
The canonical SMILES for (2Z)-2-ethenyl-3-(methoxymethoxy)penta-2,4-dienal is C=C/C(C=O)=C(\C=C)OCOC.
What is the InChIKey of (2Z)-2-ethenyl-3-(methoxymethoxy)penta-2,4-dienal?
The InChIKey is UHWKVILWJMFEBF-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H12O3/c1-4-8(6-10)9(5-2)12-7-11-3/h4-6H,1-2,7H2,3H3/b9-8-.
What are the key properties of (2Z)-2-ethenyl-3-(methoxymethoxy)penta-2,4-dienal?
(2Z)-2-ethenyl-3-(methoxymethoxy)penta-2,4-dienal has a molecular weight of 168.19 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethenyl-3-(methoxymethoxy)penta-2,4-dienal is sourced from PubChem (CID 134216657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).