4-(methoxymethylidene)-2-methyloxane

C8H14O2 — CID 76652065

IUPAC4-(methoxymethylidene)-2-methyloxane
SMILESCOC=C1CCOC(C)C1
InChIInChI=1S/C8H14O2/c1-7-5-8(6-9-2)3-4-10-7/h6-7H,3-5H2,1-2H3
InChIKeyUSRLOCDIXWKTGB-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds1

About 4-(methoxymethylidene)-2-methyloxane

4-(methoxymethylidene)-2-methyloxane (PubChem CID 76652065) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-(methoxymethylidene)-2-methyloxane.

Molecular Properties

Compound Name4-(methoxymethylidene)-2-methyloxane
PubChem CID76652065
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-(methoxymethylidene)-2-methyloxane
SMILESCOC=C1CCOC(C)C1
InChIInChI=1S/C8H14O2/c1-7-5-8(6-9-2)3-4-10-7/h6-7H,3-5H2,1-2H3
InChIKeyUSRLOCDIXWKTGB-UHFFFAOYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.72
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-methyloxane?
The IUPAC name of 4-(methoxymethylidene)-2-methyloxane (CID 76652065) is 4-(methoxymethylidene)-2-methyloxane.
What is the SMILES notation for 4-(methoxymethylidene)-2-methyloxane?
The canonical SMILES for 4-(methoxymethylidene)-2-methyloxane is COC=C1CCOC(C)C1.
What is the InChIKey of 4-(methoxymethylidene)-2-methyloxane?
The InChIKey is USRLOCDIXWKTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7-5-8(6-9-2)3-4-10-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-(methoxymethylidene)-2-methyloxane?
4-(methoxymethylidene)-2-methyloxane has a molecular weight of 142.20 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethylidene)-2-methyloxane is sourced from PubChem (CID 76652065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).