1-tert-butyl-3-methoxy-2-(methoxymethyl)-3-methylcyclobutene

C12H22O2 — CID 100957878

IUPAC1-tert-butyl-3-methoxy-2-(methoxymethyl)-3-methylcyclobutene
SMILESCOCC1=C(C(C)(C)C)CC1(C)OC
InChIInChI=1S/C12H22O2/c1-11(2,3)9-7-12(4,14-6)10(9)8-13-5/h7-8H2,1-6H3
InChIKeyJLODPSKDRYGTSQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.78
Rot. Bonds3

About 1-tert-butyl-3-methoxy-2-(methoxymethyl)-3-methylcyclobutene

1-tert-butyl-3-methoxy-2-(methoxymethyl)-3-methylcyclobutene (PubChem CID 100957878) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-tert-butyl-3-methoxy-2-(methoxymethyl)-3-methylcyclobutene.

Molecular Properties

Compound Name1-tert-butyl-3-methoxy-2-(methoxymethyl)-3-methylcyclobutene
PubChem CID100957878
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-tert-butyl-3-methoxy-2-(methoxymethyl)-3-methylcyclobutene
SMILESCOCC1=C(C(C)(C)C)CC1(C)OC
InChIInChI=1S/C12H22O2/c1-11(2,3)9-7-12(4,14-6)10(9)8-13-5/h7-8H2,1-6H3
InChIKeyJLODPSKDRYGTSQ-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.78
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

5-Methoxy-6-(methoxymethyl)-2-oxaspiro[3.5]non-5-ene
CID 12240148
3-Methoxy-2-(methoxymethyl)-1,3-dimethylcyclobutene
CID 100957875
3-Methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene
CID 100957877
6-Tert-butyl-1-methoxy-7-(methoxymethyl)bicyclo[3.2.0]hept-6-ene
CID 100957907

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methoxy-2-(methoxymethyl)-3-methylcyclobutene?
The IUPAC name of 1-tert-butyl-3-methoxy-2-(methoxymethyl)-3-methylcyclobutene (CID 100957878) is 1-tert-butyl-3-methoxy-2-(methoxymethyl)-3-methylcyclobutene.
What is the SMILES notation for 1-tert-butyl-3-methoxy-2-(methoxymethyl)-3-methylcyclobutene?
The canonical SMILES for 1-tert-butyl-3-methoxy-2-(methoxymethyl)-3-methylcyclobutene is COCC1=C(C(C)(C)C)CC1(C)OC.
What is the InChIKey of 1-tert-butyl-3-methoxy-2-(methoxymethyl)-3-methylcyclobutene?
The InChIKey is JLODPSKDRYGTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-11(2,3)9-7-12(4,14-6)10(9)8-13-5/h7-8H2,1-6H3.
What are the key properties of 1-tert-butyl-3-methoxy-2-(methoxymethyl)-3-methylcyclobutene?
1-tert-butyl-3-methoxy-2-(methoxymethyl)-3-methylcyclobutene has a molecular weight of 198.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methoxy-2-(methoxymethyl)-3-methylcyclobutene is sourced from PubChem (CID 100957878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).