methyl 3,4-dimethylcyclobutene-1-carboxylate

C8H12O2 — CID 12523848

IUPACmethyl 3,4-dimethylcyclobutene-1-carboxylate
SMILESCOC(=O)C1=CC(C)C1C
InChIInChI=1S/C8H12O2/c1-5-4-7(6(5)2)8(9)10-3/h4-6H,1-3H3
InChIKeyFTLVSCMZYSKIHQ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.37
Rot. Bonds1

About methyl 3,4-dimethylcyclobutene-1-carboxylate

methyl 3,4-dimethylcyclobutene-1-carboxylate (PubChem CID 12523848) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is methyl 3,4-dimethylcyclobutene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3,4-dimethylcyclobutene-1-carboxylate
PubChem CID12523848
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namemethyl 3,4-dimethylcyclobutene-1-carboxylate
SMILESCOC(=O)C1=CC(C)C1C
InChIInChI=1S/C8H12O2/c1-5-4-7(6(5)2)8(9)10-3/h4-6H,1-3H3
InChIKeyFTLVSCMZYSKIHQ-UHFFFAOYSA-N
XLogP1.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23457985
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methyl 2-methyl-2,5-dihydrothiophene-3-carboxylate
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methyl 7-oxabicyclo[2.2.1]hept-2-ene-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dimethylcyclobutene-1-carboxylate?
The IUPAC name of methyl 3,4-dimethylcyclobutene-1-carboxylate (CID 12523848) is methyl 3,4-dimethylcyclobutene-1-carboxylate.
What is the SMILES notation for methyl 3,4-dimethylcyclobutene-1-carboxylate?
The canonical SMILES for methyl 3,4-dimethylcyclobutene-1-carboxylate is COC(=O)C1=CC(C)C1C.
What is the InChIKey of methyl 3,4-dimethylcyclobutene-1-carboxylate?
The InChIKey is FTLVSCMZYSKIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-5-4-7(6(5)2)8(9)10-3/h4-6H,1-3H3.
What are the key properties of methyl 3,4-dimethylcyclobutene-1-carboxylate?
methyl 3,4-dimethylcyclobutene-1-carboxylate has a molecular weight of 140.18 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-dimethylcyclobutene-1-carboxylate is sourced from PubChem (CID 12523848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).