3-methoxy-2-(methoxymethyl)-1,3-dimethylcyclobutene

C9H16O2 — CID 100957875

IUPAC3-methoxy-2-(methoxymethyl)-1,3-dimethylcyclobutene
SMILESCOCC1=C(C)CC1(C)OC
InChIInChI=1S/C9H16O2/c1-7-5-9(2,11-4)8(7)6-10-3/h5-6H2,1-4H3
InChIKeyNPNUYSRJUPIPHO-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.76
Rot. Bonds3

About 3-methoxy-2-(methoxymethyl)-1,3-dimethylcyclobutene

3-methoxy-2-(methoxymethyl)-1,3-dimethylcyclobutene (PubChem CID 100957875) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-methoxy-2-(methoxymethyl)-1,3-dimethylcyclobutene.

Molecular Properties

Compound Name3-methoxy-2-(methoxymethyl)-1,3-dimethylcyclobutene
PubChem CID100957875
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-methoxy-2-(methoxymethyl)-1,3-dimethylcyclobutene
SMILESCOCC1=C(C)CC1(C)OC
InChIInChI=1S/C9H16O2/c1-7-5-9(2,11-4)8(7)6-10-3/h5-6H2,1-4H3
InChIKeyNPNUYSRJUPIPHO-UHFFFAOYSA-N
XLogP1.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Ethyl-3,4,6-trimethyl-2,5-dihydropyran
CID 170599351
3,4-Dimethoxy-1,2,3-trimethylcyclobutene
CID 13637877
3-Methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene
CID 100957877
1-Tert-butyl-3-methoxy-2-(methoxymethyl)-3-methylcyclobutene
CID 100957878
Tert-butyl-[2-(methoxymethyl)-1,3-dimethylcyclobut-2-en-1-yl]oxy-dimethylsilane
CID 100957879
(3R,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene
CID 100960142
(3S,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene
CID 100960143
3,6-Dimethoxy-1-(methoxymethyl)-2,3,4,5,6-pentamethylcyclohexa-1,4-diene
CID 101602147

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(methoxymethyl)-1,3-dimethylcyclobutene?
The IUPAC name of 3-methoxy-2-(methoxymethyl)-1,3-dimethylcyclobutene (CID 100957875) is 3-methoxy-2-(methoxymethyl)-1,3-dimethylcyclobutene.
What is the SMILES notation for 3-methoxy-2-(methoxymethyl)-1,3-dimethylcyclobutene?
The canonical SMILES for 3-methoxy-2-(methoxymethyl)-1,3-dimethylcyclobutene is COCC1=C(C)CC1(C)OC.
What is the InChIKey of 3-methoxy-2-(methoxymethyl)-1,3-dimethylcyclobutene?
The InChIKey is NPNUYSRJUPIPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-5-9(2,11-4)8(7)6-10-3/h5-6H2,1-4H3.
What are the key properties of 3-methoxy-2-(methoxymethyl)-1,3-dimethylcyclobutene?
3-methoxy-2-(methoxymethyl)-1,3-dimethylcyclobutene has a molecular weight of 156.22 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(methoxymethyl)-1,3-dimethylcyclobutene is sourced from PubChem (CID 100957875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).