4-ethylidene-5,9-dimethylundeca-5,10-dien-3-one

C15H24O — CID 91338439

IUPAC4-ethylidene-5,9-dimethylundeca-5,10-dien-3-one
SMILESC=CC(C)CCC=C(C)C(=CC)C(=O)CC
InChIInChI=1S/C15H24O/c1-6-12(4)10-9-11-13(5)14(7-2)15(16)8-3/h6-7,11-12H,1,8-10H2,2-5H3
InChIKeyZTXBCAZMYCGSNR-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.46
Rot. Bonds7

About 4-ethylidene-5,9-dimethylundeca-5,10-dien-3-one

4-ethylidene-5,9-dimethylundeca-5,10-dien-3-one (PubChem CID 91338439) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-ethylidene-5,9-dimethylundeca-5,10-dien-3-one.

Molecular Properties

Compound Name4-ethylidene-5,9-dimethylundeca-5,10-dien-3-one
PubChem CID91338439
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-ethylidene-5,9-dimethylundeca-5,10-dien-3-one
SMILESC=CC(C)CCC=C(C)C(=CC)C(=O)CC
InChIInChI=1S/C15H24O/c1-6-12(4)10-9-11-13(5)14(7-2)15(16)8-3/h6-7,11-12H,1,8-10H2,2-5H3
InChIKeyZTXBCAZMYCGSNR-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.46
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-5,9-dimethylundeca-5,10-dien-3-one?
The IUPAC name of 4-ethylidene-5,9-dimethylundeca-5,10-dien-3-one (CID 91338439) is 4-ethylidene-5,9-dimethylundeca-5,10-dien-3-one.
What is the SMILES notation for 4-ethylidene-5,9-dimethylundeca-5,10-dien-3-one?
The canonical SMILES for 4-ethylidene-5,9-dimethylundeca-5,10-dien-3-one is C=CC(C)CCC=C(C)C(=CC)C(=O)CC.
What is the InChIKey of 4-ethylidene-5,9-dimethylundeca-5,10-dien-3-one?
The InChIKey is ZTXBCAZMYCGSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-6-12(4)10-9-11-13(5)14(7-2)15(16)8-3/h6-7,11-12H,1,8-10H2,2-5H3.
What are the key properties of 4-ethylidene-5,9-dimethylundeca-5,10-dien-3-one?
4-ethylidene-5,9-dimethylundeca-5,10-dien-3-one has a molecular weight of 220.36 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-5,9-dimethylundeca-5,10-dien-3-one is sourced from PubChem (CID 91338439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).