(2Z,6E)-3,6-dimethylocta-2,6-dienal

C10H16O — CID 124647728

IUPAC(2Z,6E)-3,6-dimethylocta-2,6-dienal
SMILESC/C=C(\C)CC/C(C)=C\C=O
InChIInChI=1S/C10H16O/c1-4-9(2)5-6-10(3)7-8-11/h4,7-8H,5-6H2,1-3H3/b9-4+,10-7-
InChIKeyPEAPMUZNABIRAP-MYAOFTLLSA-N
MW152.24 g/mol
LogP2.88
Rot. Bonds4

About (2Z,6E)-3,6-dimethylocta-2,6-dienal

(2Z,6E)-3,6-dimethylocta-2,6-dienal (PubChem CID 124647728) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2Z,6E)-3,6-dimethylocta-2,6-dienal.

Molecular Properties

Compound Name(2Z,6E)-3,6-dimethylocta-2,6-dienal
PubChem CID124647728
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2Z,6E)-3,6-dimethylocta-2,6-dienal
SMILESC/C=C(\C)CC/C(C)=C\C=O
InChIInChI=1S/C10H16O/c1-4-9(2)5-6-10(3)7-8-11/h4,7-8H,5-6H2,1-3H3/b9-4+,10-7-
InChIKeyPEAPMUZNABIRAP-MYAOFTLLSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.88
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,6E)-3,6-dimethylocta-2,6-dienal?
The IUPAC name of (2Z,6E)-3,6-dimethylocta-2,6-dienal (CID 124647728) is (2Z,6E)-3,6-dimethylocta-2,6-dienal.
What is the SMILES notation for (2Z,6E)-3,6-dimethylocta-2,6-dienal?
The canonical SMILES for (2Z,6E)-3,6-dimethylocta-2,6-dienal is C/C=C(\C)CC/C(C)=C\C=O.
What is the InChIKey of (2Z,6E)-3,6-dimethylocta-2,6-dienal?
The InChIKey is PEAPMUZNABIRAP-MYAOFTLLSA-N. The full InChI is InChI=1S/C10H16O/c1-4-9(2)5-6-10(3)7-8-11/h4,7-8H,5-6H2,1-3H3/b9-4+,10-7-.
What are the key properties of (2Z,6E)-3,6-dimethylocta-2,6-dienal?
(2Z,6E)-3,6-dimethylocta-2,6-dienal has a molecular weight of 152.24 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-3,6-dimethylocta-2,6-dienal is sourced from PubChem (CID 124647728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).