6-methoxydeca-1,9-dien-5-one

C11H18O2 — CID 87059269

IUPAC6-methoxydeca-1,9-dien-5-one
SMILESC=CCCC(=O)C(CCC=C)OC
InChIInChI=1S/C11H18O2/c1-4-6-8-10(12)11(13-3)9-7-5-2/h4-5,11H,1-2,6-9H2,3H3
InChIKeyVUWRBADEZKQRHY-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.50
Rot. Bonds8

About 6-methoxydeca-1,9-dien-5-one

6-methoxydeca-1,9-dien-5-one (PubChem CID 87059269) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6-methoxydeca-1,9-dien-5-one.

Molecular Properties

Compound Name6-methoxydeca-1,9-dien-5-one
PubChem CID87059269
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6-methoxydeca-1,9-dien-5-one
SMILESC=CCCC(=O)C(CCC=C)OC
InChIInChI=1S/C11H18O2/c1-4-6-8-10(12)11(13-3)9-7-5-2/h4-5,11H,1-2,6-9H2,3H3
InChIKeyVUWRBADEZKQRHY-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxydeca-1,9-dien-5-one?
The IUPAC name of 6-methoxydeca-1,9-dien-5-one (CID 87059269) is 6-methoxydeca-1,9-dien-5-one.
What is the SMILES notation for 6-methoxydeca-1,9-dien-5-one?
The canonical SMILES for 6-methoxydeca-1,9-dien-5-one is C=CCCC(=O)C(CCC=C)OC.
What is the InChIKey of 6-methoxydeca-1,9-dien-5-one?
The InChIKey is VUWRBADEZKQRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-6-8-10(12)11(13-3)9-7-5-2/h4-5,11H,1-2,6-9H2,3H3.
What are the key properties of 6-methoxydeca-1,9-dien-5-one?
6-methoxydeca-1,9-dien-5-one has a molecular weight of 182.26 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxydeca-1,9-dien-5-one is sourced from PubChem (CID 87059269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).