cyclobutyloxymethanediol

C5H10O3 — CID 175474917

IUPACcyclobutyloxymethanediol
SMILESOC(O)OC1CCC1
InChIInChI=1S/C5H10O3/c6-5(7)8-4-2-1-3-4/h4-7H,1-3H2
InChIKeyBQEMJDUWFJVIBJ-UHFFFAOYSA-N
MW118.13 g/mol
LogP-0.18
Rot. Bonds2

About cyclobutyloxymethanediol

cyclobutyloxymethanediol (PubChem CID 175474917) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is cyclobutyloxymethanediol.

Molecular Properties

Compound Namecyclobutyloxymethanediol
PubChem CID175474917
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Namecyclobutyloxymethanediol
SMILESOC(O)OC1CCC1
InChIInChI=1S/C5H10O3/c6-5(7)8-4-2-1-3-4/h4-7H,1-3H2
InChIKeyBQEMJDUWFJVIBJ-UHFFFAOYSA-N
XLogP-0.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclobutyloxymethanediol?
The IUPAC name of cyclobutyloxymethanediol (CID 175474917) is cyclobutyloxymethanediol.
What is the SMILES notation for cyclobutyloxymethanediol?
The canonical SMILES for cyclobutyloxymethanediol is OC(O)OC1CCC1.
What is the InChIKey of cyclobutyloxymethanediol?
The InChIKey is BQEMJDUWFJVIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c6-5(7)8-4-2-1-3-4/h4-7H,1-3H2.
What are the key properties of cyclobutyloxymethanediol?
cyclobutyloxymethanediol has a molecular weight of 118.13 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyloxymethanediol is sourced from PubChem (CID 175474917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).