7-(dimethylamino)dodeca-1,11-dien-6-one

C14H25NO — CID 11831065

IUPAC7-(dimethylamino)dodeca-1,11-dien-6-one
SMILESC=CCCCC(=O)C(CCCC=C)N(C)C
InChIInChI=1S/C14H25NO/c1-5-7-9-11-13(15(3)4)14(16)12-10-8-6-2/h5-6,13H,1-2,7-12H2,3-4H3
InChIKeyHLDWUOFYBOKMBK-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.20
Rot. Bonds10

About 7-(dimethylamino)dodeca-1,11-dien-6-one

7-(dimethylamino)dodeca-1,11-dien-6-one (PubChem CID 11831065) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 7-(dimethylamino)dodeca-1,11-dien-6-one.

Molecular Properties

Compound Name7-(dimethylamino)dodeca-1,11-dien-6-one
PubChem CID11831065
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name7-(dimethylamino)dodeca-1,11-dien-6-one
SMILESC=CCCCC(=O)C(CCCC=C)N(C)C
InChIInChI=1S/C14H25NO/c1-5-7-9-11-13(15(3)4)14(16)12-10-8-6-2/h5-6,13H,1-2,7-12H2,3-4H3
InChIKeyHLDWUOFYBOKMBK-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)dodeca-1,11-dien-6-one?
The IUPAC name of 7-(dimethylamino)dodeca-1,11-dien-6-one (CID 11831065) is 7-(dimethylamino)dodeca-1,11-dien-6-one.
What is the SMILES notation for 7-(dimethylamino)dodeca-1,11-dien-6-one?
The canonical SMILES for 7-(dimethylamino)dodeca-1,11-dien-6-one is C=CCCCC(=O)C(CCCC=C)N(C)C.
What is the InChIKey of 7-(dimethylamino)dodeca-1,11-dien-6-one?
The InChIKey is HLDWUOFYBOKMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-7-9-11-13(15(3)4)14(16)12-10-8-6-2/h5-6,13H,1-2,7-12H2,3-4H3.
What are the key properties of 7-(dimethylamino)dodeca-1,11-dien-6-one?
7-(dimethylamino)dodeca-1,11-dien-6-one has a molecular weight of 223.36 g/mol, XLogP of 3.20, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)dodeca-1,11-dien-6-one is sourced from PubChem (CID 11831065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).