1-methoxy-6-methyldodecan-5-one

C14H28O2 — CID 130457358

IUPAC1-methoxy-6-methyldodecan-5-one
SMILESCCCCCCC(C)C(=O)CCCCOC
InChIInChI=1S/C14H28O2/c1-4-5-6-7-10-13(2)14(15)11-8-9-12-16-3/h13H,4-12H2,1-3H3
InChIKeyVSRZLRJPFGSBBC-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.98
Rot. Bonds11

About 1-methoxy-6-methyldodecan-5-one

1-methoxy-6-methyldodecan-5-one (PubChem CID 130457358) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-methoxy-6-methyldodecan-5-one.

Molecular Properties

Compound Name1-methoxy-6-methyldodecan-5-one
PubChem CID130457358
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-methoxy-6-methyldodecan-5-one
SMILESCCCCCCC(C)C(=O)CCCCOC
InChIInChI=1S/C14H28O2/c1-4-5-6-7-10-13(2)14(15)11-8-9-12-16-3/h13H,4-12H2,1-3H3
InChIKeyVSRZLRJPFGSBBC-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-methyldodecan-5-one?
The IUPAC name of 1-methoxy-6-methyldodecan-5-one (CID 130457358) is 1-methoxy-6-methyldodecan-5-one.
What is the SMILES notation for 1-methoxy-6-methyldodecan-5-one?
The canonical SMILES for 1-methoxy-6-methyldodecan-5-one is CCCCCCC(C)C(=O)CCCCOC.
What is the InChIKey of 1-methoxy-6-methyldodecan-5-one?
The InChIKey is VSRZLRJPFGSBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-5-6-7-10-13(2)14(15)11-8-9-12-16-3/h13H,4-12H2,1-3H3.
What are the key properties of 1-methoxy-6-methyldodecan-5-one?
1-methoxy-6-methyldodecan-5-one has a molecular weight of 228.38 g/mol, XLogP of 3.98, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-methyldodecan-5-one is sourced from PubChem (CID 130457358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).