3-methylcyclobutene-1,2-diol

C5H8O2 — CID 88819177

IUPAC3-methylcyclobutene-1,2-diol
SMILESCC1CC(O)=C1O
InChIInChI=1S/C5H8O2/c1-3-2-4(6)5(3)7/h3,6-7H,2H2,1H3
InChIKeyCBDSAGVDMCDFGC-UHFFFAOYSA-N
MW100.12 g/mol
LogP1.35
Rot. Bonds

About 3-methylcyclobutene-1,2-diol

3-methylcyclobutene-1,2-diol (PubChem CID 88819177) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 3-methylcyclobutene-1,2-diol.

Molecular Properties

Compound Name3-methylcyclobutene-1,2-diol
PubChem CID88819177
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name3-methylcyclobutene-1,2-diol
SMILESCC1CC(O)=C1O
InChIInChI=1S/C5H8O2/c1-3-2-4(6)5(3)7/h3,6-7H,2H2,1H3
InChIKeyCBDSAGVDMCDFGC-UHFFFAOYSA-N
XLogP1.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylcyclobutene-1,2-diol?
The IUPAC name of 3-methylcyclobutene-1,2-diol (CID 88819177) is 3-methylcyclobutene-1,2-diol.
What is the SMILES notation for 3-methylcyclobutene-1,2-diol?
The canonical SMILES for 3-methylcyclobutene-1,2-diol is CC1CC(O)=C1O.
What is the InChIKey of 3-methylcyclobutene-1,2-diol?
The InChIKey is CBDSAGVDMCDFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-3-2-4(6)5(3)7/h3,6-7H,2H2,1H3.
What are the key properties of 3-methylcyclobutene-1,2-diol?
3-methylcyclobutene-1,2-diol has a molecular weight of 100.12 g/mol, XLogP of 1.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclobutene-1,2-diol is sourced from PubChem (CID 88819177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).