(E)-2,7-dimethyloct-4-enedial

C10H16O2 — CID 11615244

IUPAC(E)-2,7-dimethyloct-4-enedial
SMILESCC(C=O)C/C=C/CC(C)C=O
InChIInChI=1S/C10H16O2/c1-9(7-11)5-3-4-6-10(2)8-12/h3-4,7-10H,5-6H2,1-2H3/b4-3+
InChIKeyIFQHFALXJQLJIY-ONEGZZNKSA-N
MW168.24 g/mol
LogP1.99
Rot. Bonds6

About (E)-2,7-dimethyloct-4-enedial

(E)-2,7-dimethyloct-4-enedial (PubChem CID 11615244) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (E)-2,7-dimethyloct-4-enedial.

Molecular Properties

Compound Name(E)-2,7-dimethyloct-4-enedial
PubChem CID11615244
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(E)-2,7-dimethyloct-4-enedial
SMILESCC(C=O)C/C=C/CC(C)C=O
InChIInChI=1S/C10H16O2/c1-9(7-11)5-3-4-6-10(2)8-12/h3-4,7-10H,5-6H2,1-2H3/b4-3+
InChIKeyIFQHFALXJQLJIY-ONEGZZNKSA-N
XLogP1.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-2,7-dimethyloct-4-enedial?
The IUPAC name of (E)-2,7-dimethyloct-4-enedial (CID 11615244) is (E)-2,7-dimethyloct-4-enedial.
What is the SMILES notation for (E)-2,7-dimethyloct-4-enedial?
The canonical SMILES for (E)-2,7-dimethyloct-4-enedial is CC(C=O)C/C=C/CC(C)C=O.
What is the InChIKey of (E)-2,7-dimethyloct-4-enedial?
The InChIKey is IFQHFALXJQLJIY-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(7-11)5-3-4-6-10(2)8-12/h3-4,7-10H,5-6H2,1-2H3/b4-3+.
What are the key properties of (E)-2,7-dimethyloct-4-enedial?
(E)-2,7-dimethyloct-4-enedial has a molecular weight of 168.24 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,7-dimethyloct-4-enedial is sourced from PubChem (CID 11615244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).