cyclobutane-1,3-diol

C8H16O4 — CID 175518786

IUPACcyclobutane-1,3-diol
SMILESOC1CC(O)C1.OC1CC(O)C1
InChIInChI=1S/2C4H8O2/c2*5-3-1-4(6)2-3/h2*3-6H,1-2H2
InChIKeyWITFOQNBRBVJQF-UHFFFAOYSA-N
MW176.21 g/mol
LogP-1.00
Rot. Bonds

About cyclobutane-1,3-diol

cyclobutane-1,3-diol (PubChem CID 175518786) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is cyclobutane-1,3-diol.

Molecular Properties

Compound Namecyclobutane-1,3-diol
PubChem CID175518786
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Namecyclobutane-1,3-diol
SMILESOC1CC(O)C1.OC1CC(O)C1
InChIInChI=1S/2C4H8O2/c2*5-3-1-4(6)2-3/h2*3-6H,1-2H2
InChIKeyWITFOQNBRBVJQF-UHFFFAOYSA-N
XLogP-1.00
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutane-1,3-diol?
The IUPAC name of cyclobutane-1,3-diol (CID 175518786) is cyclobutane-1,3-diol.
What is the SMILES notation for cyclobutane-1,3-diol?
The canonical SMILES for cyclobutane-1,3-diol is OC1CC(O)C1.OC1CC(O)C1.
What is the InChIKey of cyclobutane-1,3-diol?
The InChIKey is WITFOQNBRBVJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8O2/c2*5-3-1-4(6)2-3/h2*3-6H,1-2H2.
What are the key properties of cyclobutane-1,3-diol?
cyclobutane-1,3-diol has a molecular weight of 176.21 g/mol, XLogP of -1.00, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane-1,3-diol is sourced from PubChem (CID 175518786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).