3-methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene

C11H20O2 — CID 100957877

IUPAC3-methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene
SMILESCOCC1=C(C(C)C)CC1(C)OC
InChIInChI=1S/C11H20O2/c1-8(2)9-6-11(3,13-5)10(9)7-12-4/h8H,6-7H2,1-5H3
InChIKeyDGGBZPIQCQQUTO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.39
Rot. Bonds4

About 3-methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene

3-methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene (PubChem CID 100957877) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene.

Molecular Properties

Compound Name3-methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene
PubChem CID100957877
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene
SMILESCOCC1=C(C(C)C)CC1(C)OC
InChIInChI=1S/C11H20O2/c1-8(2)9-6-11(3,13-5)10(9)7-12-4/h8H,6-7H2,1-5H3
InChIKeyDGGBZPIQCQQUTO-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.39
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

3-Methoxy-2-(methoxymethyl)-1,3-dimethylcyclobutene
CID 100957875
1-Tert-butyl-3-methoxy-2-(methoxymethyl)-3-methylcyclobutene
CID 100957878
8-(Methoxymethyl)-7-methyl-2-oxabicyclo[4.2.0]oct-7-ene
CID 100957888
1-Methoxy-7-(methoxymethyl)-6-methylbicyclo[3.2.0]hept-6-ene
CID 100957905
1-Methoxy-7-(methoxymethyl)-6-propan-2-ylbicyclo[3.2.0]hept-6-ene
CID 100957906
1-Methoxy-8-(methoxymethyl)-7-methylbicyclo[4.2.0]oct-7-ene
CID 100960138
1-Methoxy-8-(methoxymethyl)-7-propan-2-ylbicyclo[4.2.0]oct-7-ene
CID 100960139
(3R,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene
CID 100960142
(3S,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene
CID 100960143
1-[3-Methoxy-2-(methoxymethyl)-3-methylcyclobuten-1-yl]cyclohexene
CID 102462218

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene?
The IUPAC name of 3-methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene (CID 100957877) is 3-methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene.
What is the SMILES notation for 3-methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene?
The canonical SMILES for 3-methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene is COCC1=C(C(C)C)CC1(C)OC.
What is the InChIKey of 3-methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene?
The InChIKey is DGGBZPIQCQQUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)9-6-11(3,13-5)10(9)7-12-4/h8H,6-7H2,1-5H3.
What are the key properties of 3-methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene?
3-methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene has a molecular weight of 184.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene is sourced from PubChem (CID 100957877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).