3-(hydroxymethyl)cyclobutan-1-ol

C5H10O2 — CID 14045176

IUPAC3-(hydroxymethyl)cyclobutan-1-ol
SMILESOCC1CC(O)C1
InChIInChI=1S/C5H10O2/c6-3-4-1-5(7)2-4/h4-7H,1-3H2
InChIKeyPJMLHATZVMHVHC-UHFFFAOYSA-N
MW102.13 g/mol
LogP-0.25
Rot. Bonds1

About 3-(hydroxymethyl)cyclobutan-1-ol

3-(hydroxymethyl)cyclobutan-1-ol (PubChem CID 14045176) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 3-(hydroxymethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)cyclobutan-1-ol
PubChem CID14045176
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name3-(hydroxymethyl)cyclobutan-1-ol
SMILESOCC1CC(O)C1
InChIInChI=1S/C5H10O2/c6-3-4-1-5(7)2-4/h4-7H,1-3H2
InChIKeyPJMLHATZVMHVHC-UHFFFAOYSA-N
XLogP-0.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)cyclobutan-1-ol?
The IUPAC name of 3-(hydroxymethyl)cyclobutan-1-ol (CID 14045176) is 3-(hydroxymethyl)cyclobutan-1-ol.
What is the SMILES notation for 3-(hydroxymethyl)cyclobutan-1-ol?
The canonical SMILES for 3-(hydroxymethyl)cyclobutan-1-ol is OCC1CC(O)C1.
What is the InChIKey of 3-(hydroxymethyl)cyclobutan-1-ol?
The InChIKey is PJMLHATZVMHVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c6-3-4-1-5(7)2-4/h4-7H,1-3H2.
What are the key properties of 3-(hydroxymethyl)cyclobutan-1-ol?
3-(hydroxymethyl)cyclobutan-1-ol has a molecular weight of 102.13 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)cyclobutan-1-ol is sourced from PubChem (CID 14045176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).