(4E,6Z)-9-methoxy-4-[1-(3-prop-2-enoxybut-3-enoxy)ethenyl]-6-prop-1-en-2-ylnona-4,6-dienal

C22H32O4 — CID 122526993

IUPAC(4E,6Z)-9-methoxy-4-[1-(3-prop-2-enoxybut-3-enoxy)ethenyl]-6-prop-1-en-2-ylnona-4,6-dienal
SMILESC=CCOC(=C)CCOC(=C)/C(=C\C(=C\CCOC)C(=C)C)CCC=O
InChIInChI=1S/C22H32O4/c1-7-14-25-19(4)12-16-26-20(5)22(10-8-13-23)17-21(18(2)3)11-9-15-24-6/h7,11,13,17H,1-2,4-5,8-10,12,14-16H2,3,6H3/b21-11-,22-17+
InChIKeyFFSIEFNSNCSLLP-JRPFOSPMSA-N
MW360.49 g/mol
LogP5.07
Rot. Bonds16

About (4E,6Z)-9-methoxy-4-[1-(3-prop-2-enoxybut-3-enoxy)ethenyl]-6-prop-1-en-2-ylnona-4,6-dienal

(4E,6Z)-9-methoxy-4-[1-(3-prop-2-enoxybut-3-enoxy)ethenyl]-6-prop-1-en-2-ylnona-4,6-dienal (PubChem CID 122526993) has the molecular formula C22H32O4 and a molecular weight of 360.49 g/mol. Its IUPAC name is (4E,6Z)-9-methoxy-4-[1-(3-prop-2-enoxybut-3-enoxy)ethenyl]-6-prop-1-en-2-ylnona-4,6-dienal.

Molecular Properties

Compound Name(4E,6Z)-9-methoxy-4-[1-(3-prop-2-enoxybut-3-enoxy)ethenyl]-6-prop-1-en-2-ylnona-4,6-dienal
PubChem CID122526993
Molecular FormulaC22H32O4
Molecular Weight360.49 g/mol
Exact Mass360.23
IUPAC Name(4E,6Z)-9-methoxy-4-[1-(3-prop-2-enoxybut-3-enoxy)ethenyl]-6-prop-1-en-2-ylnona-4,6-dienal
SMILESC=CCOC(=C)CCOC(=C)/C(=C\C(=C\CCOC)C(=C)C)CCC=O
InChIInChI=1S/C22H32O4/c1-7-14-25-19(4)12-16-26-20(5)22(10-8-13-23)17-21(18(2)3)11-9-15-24-6/h7,11,13,17H,1-2,4-5,8-10,12,14-16H2,3,6H3/b21-11-,22-17+
InChIKeyFFSIEFNSNCSLLP-JRPFOSPMSA-N
XLogP5.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.49
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-9-methoxy-4-[1-(3-prop-2-enoxybut-3-enoxy)ethenyl]-6-prop-1-en-2-ylnona-4,6-dienal?
The IUPAC name of (4E,6Z)-9-methoxy-4-[1-(3-prop-2-enoxybut-3-enoxy)ethenyl]-6-prop-1-en-2-ylnona-4,6-dienal (CID 122526993) is (4E,6Z)-9-methoxy-4-[1-(3-prop-2-enoxybut-3-enoxy)ethenyl]-6-prop-1-en-2-ylnona-4,6-dienal.
What is the SMILES notation for (4E,6Z)-9-methoxy-4-[1-(3-prop-2-enoxybut-3-enoxy)ethenyl]-6-prop-1-en-2-ylnona-4,6-dienal?
The canonical SMILES for (4E,6Z)-9-methoxy-4-[1-(3-prop-2-enoxybut-3-enoxy)ethenyl]-6-prop-1-en-2-ylnona-4,6-dienal is C=CCOC(=C)CCOC(=C)/C(=C\C(=C\CCOC)C(=C)C)CCC=O.
What is the InChIKey of (4E,6Z)-9-methoxy-4-[1-(3-prop-2-enoxybut-3-enoxy)ethenyl]-6-prop-1-en-2-ylnona-4,6-dienal?
The InChIKey is FFSIEFNSNCSLLP-JRPFOSPMSA-N. The full InChI is InChI=1S/C22H32O4/c1-7-14-25-19(4)12-16-26-20(5)22(10-8-13-23)17-21(18(2)3)11-9-15-24-6/h7,11,13,17H,1-2,4-5,8-10,12,14-16H2,3,6H3/b21-11-,22-17+.
What are the key properties of (4E,6Z)-9-methoxy-4-[1-(3-prop-2-enoxybut-3-enoxy)ethenyl]-6-prop-1-en-2-ylnona-4,6-dienal?
(4E,6Z)-9-methoxy-4-[1-(3-prop-2-enoxybut-3-enoxy)ethenyl]-6-prop-1-en-2-ylnona-4,6-dienal has a molecular weight of 360.49 g/mol, XLogP of 5.07, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-9-methoxy-4-[1-(3-prop-2-enoxybut-3-enoxy)ethenyl]-6-prop-1-en-2-ylnona-4,6-dienal is sourced from PubChem (CID 122526993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).