(5Z)-2,6-dimethylocta-2,5,7-trien-4-one

C10H14O — CID 6428432

IUPAC(5Z)-2,6-dimethylocta-2,5,7-trien-4-one
SMILESC=C/C(C)=C\C(=O)C=C(C)C
InChIInChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-7H,1H2,2-4H3/b9-7-
InChIKeyXUINKEIPBTYUJP-CLFYSBASSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds3

About (5Z)-2,6-dimethylocta-2,5,7-trien-4-one

(5Z)-2,6-dimethylocta-2,5,7-trien-4-one (PubChem CID 6428432) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (5Z)-2,6-dimethylocta-2,5,7-trien-4-one.

Molecular Properties

Compound Name(5Z)-2,6-dimethylocta-2,5,7-trien-4-one
PubChem CID6428432
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(5Z)-2,6-dimethylocta-2,5,7-trien-4-one
SMILESC=C/C(C)=C\C(=O)C=C(C)C
InChIInChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-7H,1H2,2-4H3/b9-7-
InChIKeyXUINKEIPBTYUJP-CLFYSBASSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2,6-dimethylocta-2,5,7-trien-4-one?
The IUPAC name of (5Z)-2,6-dimethylocta-2,5,7-trien-4-one (CID 6428432) is (5Z)-2,6-dimethylocta-2,5,7-trien-4-one.
What is the SMILES notation for (5Z)-2,6-dimethylocta-2,5,7-trien-4-one?
The canonical SMILES for (5Z)-2,6-dimethylocta-2,5,7-trien-4-one is C=C/C(C)=C\C(=O)C=C(C)C.
What is the InChIKey of (5Z)-2,6-dimethylocta-2,5,7-trien-4-one?
The InChIKey is XUINKEIPBTYUJP-CLFYSBASSA-N. The full InChI is InChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-7H,1H2,2-4H3/b9-7-.
What are the key properties of (5Z)-2,6-dimethylocta-2,5,7-trien-4-one?
(5Z)-2,6-dimethylocta-2,5,7-trien-4-one has a molecular weight of 150.22 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2,6-dimethylocta-2,5,7-trien-4-one is sourced from PubChem (CID 6428432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).