(5E)-2,2-dimethylocta-5,7-dienal

C10H16O — CID 134894941

IUPAC(5E)-2,2-dimethylocta-5,7-dienal
SMILESC=C/C=C/CCC(C)(C)C=O
InChIInChI=1S/C10H16O/c1-4-5-6-7-8-10(2,3)9-11/h4-6,9H,1,7-8H2,2-3H3/b6-5+
InChIKeyOGTSMYHNYAAOOA-AATRIKPKSA-N
MW152.24 g/mol
LogP2.73
Rot. Bonds5

About (5E)-2,2-dimethylocta-5,7-dienal

(5E)-2,2-dimethylocta-5,7-dienal (PubChem CID 134894941) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (5E)-2,2-dimethylocta-5,7-dienal.

Molecular Properties

Compound Name(5E)-2,2-dimethylocta-5,7-dienal
PubChem CID134894941
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(5E)-2,2-dimethylocta-5,7-dienal
SMILESC=C/C=C/CCC(C)(C)C=O
InChIInChI=1S/C10H16O/c1-4-5-6-7-8-10(2,3)9-11/h4-6,9H,1,7-8H2,2-3H3/b6-5+
InChIKeyOGTSMYHNYAAOOA-AATRIKPKSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-2,2-dimethylocta-5,7-dienal?
The IUPAC name of (5E)-2,2-dimethylocta-5,7-dienal (CID 134894941) is (5E)-2,2-dimethylocta-5,7-dienal.
What is the SMILES notation for (5E)-2,2-dimethylocta-5,7-dienal?
The canonical SMILES for (5E)-2,2-dimethylocta-5,7-dienal is C=C/C=C/CCC(C)(C)C=O.
What is the InChIKey of (5E)-2,2-dimethylocta-5,7-dienal?
The InChIKey is OGTSMYHNYAAOOA-AATRIKPKSA-N. The full InChI is InChI=1S/C10H16O/c1-4-5-6-7-8-10(2,3)9-11/h4-6,9H,1,7-8H2,2-3H3/b6-5+.
What are the key properties of (5E)-2,2-dimethylocta-5,7-dienal?
(5E)-2,2-dimethylocta-5,7-dienal has a molecular weight of 152.24 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2,2-dimethylocta-5,7-dienal is sourced from PubChem (CID 134894941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).