6-ethylidene-9-methoxydeca-7,9-dien-2-one

C13H20O2 — CID 123625183

IUPAC6-ethylidene-9-methoxydeca-7,9-dien-2-one
SMILESC=C(C=CC(=CC)CCCC(C)=O)OC
InChIInChI=1S/C13H20O2/c1-5-13(8-6-7-11(2)14)10-9-12(3)15-4/h5,9-10H,3,6-8H2,1-2,4H3
InChIKeyYCPSLBZWYPDZRE-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.41
Rot. Bonds7

About 6-ethylidene-9-methoxydeca-7,9-dien-2-one

6-ethylidene-9-methoxydeca-7,9-dien-2-one (PubChem CID 123625183) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 6-ethylidene-9-methoxydeca-7,9-dien-2-one.

Molecular Properties

Compound Name6-ethylidene-9-methoxydeca-7,9-dien-2-one
PubChem CID123625183
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name6-ethylidene-9-methoxydeca-7,9-dien-2-one
SMILESC=C(C=CC(=CC)CCCC(C)=O)OC
InChIInChI=1S/C13H20O2/c1-5-13(8-6-7-11(2)14)10-9-12(3)15-4/h5,9-10H,3,6-8H2,1-2,4H3
InChIKeyYCPSLBZWYPDZRE-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethylidene-9-methoxydeca-7,9-dien-2-one?
The IUPAC name of 6-ethylidene-9-methoxydeca-7,9-dien-2-one (CID 123625183) is 6-ethylidene-9-methoxydeca-7,9-dien-2-one.
What is the SMILES notation for 6-ethylidene-9-methoxydeca-7,9-dien-2-one?
The canonical SMILES for 6-ethylidene-9-methoxydeca-7,9-dien-2-one is C=C(C=CC(=CC)CCCC(C)=O)OC.
What is the InChIKey of 6-ethylidene-9-methoxydeca-7,9-dien-2-one?
The InChIKey is YCPSLBZWYPDZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-13(8-6-7-11(2)14)10-9-12(3)15-4/h5,9-10H,3,6-8H2,1-2,4H3.
What are the key properties of 6-ethylidene-9-methoxydeca-7,9-dien-2-one?
6-ethylidene-9-methoxydeca-7,9-dien-2-one has a molecular weight of 208.30 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylidene-9-methoxydeca-7,9-dien-2-one is sourced from PubChem (CID 123625183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).