2-methoxydec-1-en-1-one

C11H20O2 — CID 134874211

IUPAC2-methoxydec-1-en-1-one
SMILESCCCCCCCCC(=C=O)OC
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-11(10-12)13-2/h3-9H2,1-2H3
InChIKeySEZIEORHIWPLSN-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.10
Rot. Bonds8

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

2-methoxydec-1-en-1-one (PubChem CID 134874211) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methoxydec-1-en-1-one.

Molecular Properties

Compound Name2-methoxydec-1-en-1-one
PubChem CID134874211
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methoxydec-1-en-1-one
SMILESCCCCCCCCC(=C=O)OC
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-11(10-12)13-2/h3-9H2,1-2H3
InChIKeySEZIEORHIWPLSN-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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': 'ketene', 'substructure': 'N/A'}

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Related Compounds

2-pentyltetradec-1-en-1-one
CID 175773273
3-(6-methoxy-7-oxohept-6-enylidene)-4-oct-1-enylcyclopentan-1-one
CID 173400593
methyl heptadecanoate
CID 15609
methyl tetradecanoate
CID 89052795
methyl heptanoate
CID 7826
methyl octadecanoate;methyl octanoate
CID 157178883
methyl heptanoate;dihydrochloride
CID 140971064
CID 159528754
CID 159528754
methyl nonanoate;hydrochloride
CID 141151355
methanol;methyl decanoate
CID 174459243
potassium;hydride;methyl octadecanoate
CID 175153010
methyl octadec-9-ynoate
CID 534587

Frequently Asked Questions

What is the IUPAC name of 2-methoxydec-1-en-1-one?
The IUPAC name of 2-methoxydec-1-en-1-one (CID 134874211) is 2-methoxydec-1-en-1-one.
What is the SMILES notation for 2-methoxydec-1-en-1-one?
The canonical SMILES for 2-methoxydec-1-en-1-one is CCCCCCCCC(=C=O)OC.
What is the InChIKey of 2-methoxydec-1-en-1-one?
The InChIKey is SEZIEORHIWPLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-11(10-12)13-2/h3-9H2,1-2H3.
What are the key properties of 2-methoxydec-1-en-1-one?
2-methoxydec-1-en-1-one has a molecular weight of 184.28 g/mol, XLogP of 3.10, 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-1-one is sourced from PubChem (CID 134874211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).