(4E)-8-methyl-4-prop-2-enylnona-4,8-dienal

C13H20O — CID 100952255

IUPAC(4E)-8-methyl-4-prop-2-enylnona-4,8-dienal
SMILESC=CC/C(=C/CCC(=C)C)CCC=O
InChIInChI=1S/C13H20O/c1-4-7-13(10-6-11-14)9-5-8-12(2)3/h4,9,11H,1-2,5-8,10H2,3H3/b13-9-
InChIKeyAVIQDFNWXQCKLA-LCYFTJDESA-N
MW192.30 g/mol
LogP3.82
Rot. Bonds8

About (4E)-8-methyl-4-prop-2-enylnona-4,8-dienal

(4E)-8-methyl-4-prop-2-enylnona-4,8-dienal (PubChem CID 100952255) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (4E)-8-methyl-4-prop-2-enylnona-4,8-dienal.

Molecular Properties

Compound Name(4E)-8-methyl-4-prop-2-enylnona-4,8-dienal
PubChem CID100952255
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(4E)-8-methyl-4-prop-2-enylnona-4,8-dienal
SMILESC=CC/C(=C/CCC(=C)C)CCC=O
InChIInChI=1S/C13H20O/c1-4-7-13(10-6-11-14)9-5-8-12(2)3/h4,9,11H,1-2,5-8,10H2,3H3/b13-9-
InChIKeyAVIQDFNWXQCKLA-LCYFTJDESA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-8-methyl-4-prop-2-enylnona-4,8-dienal?
The IUPAC name of (4E)-8-methyl-4-prop-2-enylnona-4,8-dienal (CID 100952255) is (4E)-8-methyl-4-prop-2-enylnona-4,8-dienal.
What is the SMILES notation for (4E)-8-methyl-4-prop-2-enylnona-4,8-dienal?
The canonical SMILES for (4E)-8-methyl-4-prop-2-enylnona-4,8-dienal is C=CC/C(=C/CCC(=C)C)CCC=O.
What is the InChIKey of (4E)-8-methyl-4-prop-2-enylnona-4,8-dienal?
The InChIKey is AVIQDFNWXQCKLA-LCYFTJDESA-N. The full InChI is InChI=1S/C13H20O/c1-4-7-13(10-6-11-14)9-5-8-12(2)3/h4,9,11H,1-2,5-8,10H2,3H3/b13-9-.
What are the key properties of (4E)-8-methyl-4-prop-2-enylnona-4,8-dienal?
(4E)-8-methyl-4-prop-2-enylnona-4,8-dienal has a molecular weight of 192.30 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-8-methyl-4-prop-2-enylnona-4,8-dienal is sourced from PubChem (CID 100952255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).