6-(methoxymethylidene)undecane

C13H26O — CID 134895818

IUPAC6-(methoxymethylidene)undecane
SMILESCCCCCC(=COC)CCCCC
InChIInChI=1S/C13H26O/c1-4-6-8-10-13(12-14-3)11-9-7-5-2/h12H,4-11H2,1-3H3
InChIKeyNTMRWJQPICEOPK-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.68
Rot. Bonds9

About 6-(methoxymethylidene)undecane

6-(methoxymethylidene)undecane (PubChem CID 134895818) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 6-(methoxymethylidene)undecane.

Molecular Properties

Compound Name6-(methoxymethylidene)undecane
PubChem CID134895818
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name6-(methoxymethylidene)undecane
SMILESCCCCCC(=COC)CCCCC
InChIInChI=1S/C13H26O/c1-4-6-8-10-13(12-14-3)11-9-7-5-2/h12H,4-11H2,1-3H3
InChIKeyNTMRWJQPICEOPK-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethylidene)undecane?
The IUPAC name of 6-(methoxymethylidene)undecane (CID 134895818) is 6-(methoxymethylidene)undecane.
What is the SMILES notation for 6-(methoxymethylidene)undecane?
The canonical SMILES for 6-(methoxymethylidene)undecane is CCCCCC(=COC)CCCCC.
What is the InChIKey of 6-(methoxymethylidene)undecane?
The InChIKey is NTMRWJQPICEOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-4-6-8-10-13(12-14-3)11-9-7-5-2/h12H,4-11H2,1-3H3.
What are the key properties of 6-(methoxymethylidene)undecane?
6-(methoxymethylidene)undecane has a molecular weight of 198.35 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethylidene)undecane is sourced from PubChem (CID 134895818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).