2-methoxydec-1-en-3-one

C11H20O2 — CID 131862503

IUPAC2-methoxydec-1-en-3-one
SMILESC=C(OC)C(=O)CCCCCCC
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-9-11(12)10(2)13-3/h2,4-9H2,1,3H3
InChIKeyKKMOKVVCEUSIKT-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.08
Rot. Bonds8

About 2-methoxydec-1-en-3-one

2-methoxydec-1-en-3-one (PubChem CID 131862503) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methoxydec-1-en-3-one.

Molecular Properties

Compound Name2-methoxydec-1-en-3-one
PubChem CID131862503
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methoxydec-1-en-3-one
SMILESC=C(OC)C(=O)CCCCCCC
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-9-11(12)10(2)13-3/h2,4-9H2,1,3H3
InChIKeyKKMOKVVCEUSIKT-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

11-methylidenetricosan-12-one
CID 146586592
7-chloro-2-methoxyhept-1-en-3-one
CID 24976900
octadecane-9,10-dione
CID 10902085
nonatriacontane-16,17-dione
CID 175447711
2-methyltridec-1-en-3-one
CID 91110358
2-methylhentriacont-1-en-3-one
CID 153436335
2-methylnonadec-1-en-3-one
CID 150628128
methyl 2,3-dioxotetracosanoate
CID 174604559
2-fluorohexadec-1-en-3-one
CID 132521412
ethane;2-methyldodec-1-en-3-one
CID 143443601
19-methylideneheptatriacontane-18,20-dione;titanium;tetrahydrate
CID 87789513
methyl (2R)-2-hydroxy-9-methylidene-10-oxooctadecanoate
CID 15098257

Frequently Asked Questions

What is the IUPAC name of 2-methoxydec-1-en-3-one?
The IUPAC name of 2-methoxydec-1-en-3-one (CID 131862503) is 2-methoxydec-1-en-3-one.
What is the SMILES notation for 2-methoxydec-1-en-3-one?
The canonical SMILES for 2-methoxydec-1-en-3-one is C=C(OC)C(=O)CCCCCCC.
What is the InChIKey of 2-methoxydec-1-en-3-one?
The InChIKey is KKMOKVVCEUSIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-6-7-8-9-11(12)10(2)13-3/h2,4-9H2,1,3H3.
What are the key properties of 2-methoxydec-1-en-3-one?
2-methoxydec-1-en-3-one has a molecular weight of 184.28 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxydec-1-en-3-one is sourced from PubChem (CID 131862503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).