3-(methoxymethyl)cyclobutene

C6H10O — CID 57068935

IUPAC3-(methoxymethyl)cyclobutene
SMILESCOCC1C=CC1
InChIInChI=1S/C6H10O/c1-7-5-6-3-2-4-6/h2-3,6H,4-5H2,1H3
InChIKeyHHZXGIVNDOPQGR-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.21
Rot. Bonds2

About 3-(methoxymethyl)cyclobutene

3-(methoxymethyl)cyclobutene (PubChem CID 57068935) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 3-(methoxymethyl)cyclobutene.

Molecular Properties

Compound Name3-(methoxymethyl)cyclobutene
PubChem CID57068935
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name3-(methoxymethyl)cyclobutene
SMILESCOCC1C=CC1
InChIInChI=1S/C6H10O/c1-7-5-6-3-2-4-6/h2-3,6H,4-5H2,1H3
InChIKeyHHZXGIVNDOPQGR-UHFFFAOYSA-N
XLogP1.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)cyclobutene?
The IUPAC name of 3-(methoxymethyl)cyclobutene (CID 57068935) is 3-(methoxymethyl)cyclobutene.
What is the SMILES notation for 3-(methoxymethyl)cyclobutene?
The canonical SMILES for 3-(methoxymethyl)cyclobutene is COCC1C=CC1.
What is the InChIKey of 3-(methoxymethyl)cyclobutene?
The InChIKey is HHZXGIVNDOPQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-7-5-6-3-2-4-6/h2-3,6H,4-5H2,1H3.
What are the key properties of 3-(methoxymethyl)cyclobutene?
3-(methoxymethyl)cyclobutene has a molecular weight of 98.14 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)cyclobutene is sourced from PubChem (CID 57068935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).