4-(methoxymethylidene)-2,2,6,6-tetramethyloxane

C11H20O2 — CID 58424367

IUPAC4-(methoxymethylidene)-2,2,6,6-tetramethyloxane
SMILESCOC=C1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C11H20O2/c1-10(2)6-9(8-12-5)7-11(3,4)13-10/h8H,6-7H2,1-5H3
InChIKeyOSTFCTQUVACFKY-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.88
Rot. Bonds1

About 4-(methoxymethylidene)-2,2,6,6-tetramethyloxane

4-(methoxymethylidene)-2,2,6,6-tetramethyloxane (PubChem CID 58424367) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(methoxymethylidene)-2,2,6,6-tetramethyloxane.

Molecular Properties

Compound Name4-(methoxymethylidene)-2,2,6,6-tetramethyloxane
PubChem CID58424367
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-(methoxymethylidene)-2,2,6,6-tetramethyloxane
SMILESCOC=C1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C11H20O2/c1-10(2)6-9(8-12-5)7-11(3,4)13-10/h8H,6-7H2,1-5H3
InChIKeyOSTFCTQUVACFKY-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethylidene)-2,2,6,6-tetramethyloxane?
The IUPAC name of 4-(methoxymethylidene)-2,2,6,6-tetramethyloxane (CID 58424367) is 4-(methoxymethylidene)-2,2,6,6-tetramethyloxane.
What is the SMILES notation for 4-(methoxymethylidene)-2,2,6,6-tetramethyloxane?
The canonical SMILES for 4-(methoxymethylidene)-2,2,6,6-tetramethyloxane is COC=C1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 4-(methoxymethylidene)-2,2,6,6-tetramethyloxane?
The InChIKey is OSTFCTQUVACFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)6-9(8-12-5)7-11(3,4)13-10/h8H,6-7H2,1-5H3.
What are the key properties of 4-(methoxymethylidene)-2,2,6,6-tetramethyloxane?
4-(methoxymethylidene)-2,2,6,6-tetramethyloxane has a molecular weight of 184.28 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethylidene)-2,2,6,6-tetramethyloxane is sourced from PubChem (CID 58424367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).