(E)-1,12-dimethoxydodec-7-en-6-one

C14H26O3 — CID 132509895

IUPAC(E)-1,12-dimethoxydodec-7-en-6-one
SMILESCOCCCC/C=C/C(=O)CCCCCOC
InChIInChI=1S/C14H26O3/c1-16-12-8-4-3-6-10-14(15)11-7-5-9-13-17-2/h6,10H,3-5,7-9,11-13H2,1-2H3/b10-6+
InChIKeyJZIXKUOASVEJPY-UXBLZVDNSA-N
MW242.36 g/mol
LogP3.14
Rot. Bonds12

About (E)-1,12-dimethoxydodec-7-en-6-one

(E)-1,12-dimethoxydodec-7-en-6-one (PubChem CID 132509895) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (E)-1,12-dimethoxydodec-7-en-6-one.

Molecular Properties

Compound Name(E)-1,12-dimethoxydodec-7-en-6-one
PubChem CID132509895
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(E)-1,12-dimethoxydodec-7-en-6-one
SMILESCOCCCC/C=C/C(=O)CCCCCOC
InChIInChI=1S/C14H26O3/c1-16-12-8-4-3-6-10-14(15)11-7-5-9-13-17-2/h6,10H,3-5,7-9,11-13H2,1-2H3/b10-6+
InChIKeyJZIXKUOASVEJPY-UXBLZVDNSA-N
XLogP3.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,12-dimethoxydodec-7-en-6-one?
The IUPAC name of (E)-1,12-dimethoxydodec-7-en-6-one (CID 132509895) is (E)-1,12-dimethoxydodec-7-en-6-one.
What is the SMILES notation for (E)-1,12-dimethoxydodec-7-en-6-one?
The canonical SMILES for (E)-1,12-dimethoxydodec-7-en-6-one is COCCCC/C=C/C(=O)CCCCCOC.
What is the InChIKey of (E)-1,12-dimethoxydodec-7-en-6-one?
The InChIKey is JZIXKUOASVEJPY-UXBLZVDNSA-N. The full InChI is InChI=1S/C14H26O3/c1-16-12-8-4-3-6-10-14(15)11-7-5-9-13-17-2/h6,10H,3-5,7-9,11-13H2,1-2H3/b10-6+.
What are the key properties of (E)-1,12-dimethoxydodec-7-en-6-one?
(E)-1,12-dimethoxydodec-7-en-6-one has a molecular weight of 242.36 g/mol, XLogP of 3.14, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,12-dimethoxydodec-7-en-6-one is sourced from PubChem (CID 132509895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).