3-methoxydec-1-en-5-one

C11H20O2 — CID 88759261

IUPAC3-methoxydec-1-en-5-one
SMILESC=CC(CC(=O)CCCCC)OC
InChIInChI=1S/C11H20O2/c1-4-6-7-8-10(12)9-11(5-2)13-3/h5,11H,2,4,6-9H2,1,3H3
InChIKeyFIVMUDQTJWDUCY-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.73
Rot. Bonds8

About 3-methoxydec-1-en-5-one

3-methoxydec-1-en-5-one (PubChem CID 88759261) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methoxydec-1-en-5-one.

Molecular Properties

Compound Name3-methoxydec-1-en-5-one
PubChem CID88759261
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-methoxydec-1-en-5-one
SMILESC=CC(CC(=O)CCCCC)OC
InChIInChI=1S/C11H20O2/c1-4-6-7-8-10(12)9-11(5-2)13-3/h5,11H,2,4,6-9H2,1,3H3
InChIKeyFIVMUDQTJWDUCY-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.73
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 3-methoxydec-1-en-5-one?
The IUPAC name of 3-methoxydec-1-en-5-one (CID 88759261) is 3-methoxydec-1-en-5-one.
What is the SMILES notation for 3-methoxydec-1-en-5-one?
The canonical SMILES for 3-methoxydec-1-en-5-one is C=CC(CC(=O)CCCCC)OC.
What is the InChIKey of 3-methoxydec-1-en-5-one?
The InChIKey is FIVMUDQTJWDUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-6-7-8-10(12)9-11(5-2)13-3/h5,11H,2,4,6-9H2,1,3H3.
What are the key properties of 3-methoxydec-1-en-5-one?
3-methoxydec-1-en-5-one has a molecular weight of 184.28 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxydec-1-en-5-one is sourced from PubChem (CID 88759261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).