(4E)-4,8-dimethylnona-4,8-dien-3-one

C11H18O — CID 20501743

IUPAC(4E)-4,8-dimethylnona-4,8-dien-3-one
SMILESC=C(C)CC/C=C(\C)C(=O)CC
InChIInChI=1S/C11H18O/c1-5-11(12)10(4)8-6-7-9(2)3/h8H,2,5-7H2,1,3-4H3/b10-8+
InChIKeyDUVIPGUBLUDATM-CSKARUKUSA-N
MW166.26 g/mol
LogP3.27
Rot. Bonds5

About (4E)-4,8-dimethylnona-4,8-dien-3-one

(4E)-4,8-dimethylnona-4,8-dien-3-one (PubChem CID 20501743) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4E)-4,8-dimethylnona-4,8-dien-3-one.

Molecular Properties

Compound Name(4E)-4,8-dimethylnona-4,8-dien-3-one
PubChem CID20501743
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4E)-4,8-dimethylnona-4,8-dien-3-one
SMILESC=C(C)CC/C=C(\C)C(=O)CC
InChIInChI=1S/C11H18O/c1-5-11(12)10(4)8-6-7-9(2)3/h8H,2,5-7H2,1,3-4H3/b10-8+
InChIKeyDUVIPGUBLUDATM-CSKARUKUSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (4E)-4,8-dimethylnona-4,8-dien-3-one?
The IUPAC name of (4E)-4,8-dimethylnona-4,8-dien-3-one (CID 20501743) is (4E)-4,8-dimethylnona-4,8-dien-3-one.
What is the SMILES notation for (4E)-4,8-dimethylnona-4,8-dien-3-one?
The canonical SMILES for (4E)-4,8-dimethylnona-4,8-dien-3-one is C=C(C)CC/C=C(\C)C(=O)CC.
What is the InChIKey of (4E)-4,8-dimethylnona-4,8-dien-3-one?
The InChIKey is DUVIPGUBLUDATM-CSKARUKUSA-N. The full InChI is InChI=1S/C11H18O/c1-5-11(12)10(4)8-6-7-9(2)3/h8H,2,5-7H2,1,3-4H3/b10-8+.
What are the key properties of (4E)-4,8-dimethylnona-4,8-dien-3-one?
(4E)-4,8-dimethylnona-4,8-dien-3-one has a molecular weight of 166.26 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4,8-dimethylnona-4,8-dien-3-one is sourced from PubChem (CID 20501743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).