(2E,7E)-8-hydroxy-2,6-dimethylocta-2,7-dienal

C10H16O2 — CID 139036280

IUPAC(2E,7E)-8-hydroxy-2,6-dimethylocta-2,7-dienal
SMILESC/C(C=O)=C\CCC(C)/C=C/O
InChIInChI=1S/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-9,11H,3-4H2,1-2H3/b7-6+,10-5+
InChIKeyCUVKIWGKVWHEEO-XYLIHAQWSA-N
MW168.24 g/mol
LogP2.62
Rot. Bonds5

About (2E,7E)-8-hydroxy-2,6-dimethylocta-2,7-dienal

(2E,7E)-8-hydroxy-2,6-dimethylocta-2,7-dienal (PubChem CID 139036280) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2E,7E)-8-hydroxy-2,6-dimethylocta-2,7-dienal.

Molecular Properties

Compound Name(2E,7E)-8-hydroxy-2,6-dimethylocta-2,7-dienal
PubChem CID139036280
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2E,7E)-8-hydroxy-2,6-dimethylocta-2,7-dienal
SMILESC/C(C=O)=C\CCC(C)/C=C/O
InChIInChI=1S/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-9,11H,3-4H2,1-2H3/b7-6+,10-5+
InChIKeyCUVKIWGKVWHEEO-XYLIHAQWSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,7E)-8-hydroxy-2,6-dimethylocta-2,7-dienal?
The IUPAC name of (2E,7E)-8-hydroxy-2,6-dimethylocta-2,7-dienal (CID 139036280) is (2E,7E)-8-hydroxy-2,6-dimethylocta-2,7-dienal.
What is the SMILES notation for (2E,7E)-8-hydroxy-2,6-dimethylocta-2,7-dienal?
The canonical SMILES for (2E,7E)-8-hydroxy-2,6-dimethylocta-2,7-dienal is C/C(C=O)=C\CCC(C)/C=C/O.
What is the InChIKey of (2E,7E)-8-hydroxy-2,6-dimethylocta-2,7-dienal?
The InChIKey is CUVKIWGKVWHEEO-XYLIHAQWSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-9,11H,3-4H2,1-2H3/b7-6+,10-5+.
What are the key properties of (2E,7E)-8-hydroxy-2,6-dimethylocta-2,7-dienal?
(2E,7E)-8-hydroxy-2,6-dimethylocta-2,7-dienal has a molecular weight of 168.24 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7E)-8-hydroxy-2,6-dimethylocta-2,7-dienal is sourced from PubChem (CID 139036280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).