2,2-dimethylcyclobutane-1,3-diol

C6H12O2 — CID 57239380

IUPAC2,2-dimethylcyclobutane-1,3-diol
SMILESCC1(C)C(O)CC1O
InChIInChI=1S/C6H12O2/c1-6(2)4(7)3-5(6)8/h4-5,7-8H,3H2,1-2H3
InChIKeyCREZVKNYLKCGGU-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.14
Rot. Bonds

About 2,2-dimethylcyclobutane-1,3-diol

2,2-dimethylcyclobutane-1,3-diol (PubChem CID 57239380) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2,2-dimethylcyclobutane-1,3-diol.

Molecular Properties

Compound Name2,2-dimethylcyclobutane-1,3-diol
PubChem CID57239380
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2,2-dimethylcyclobutane-1,3-diol
SMILESCC1(C)C(O)CC1O
InChIInChI=1S/C6H12O2/c1-6(2)4(7)3-5(6)8/h4-5,7-8H,3H2,1-2H3
InChIKeyCREZVKNYLKCGGU-UHFFFAOYSA-N
XLogP0.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethylcyclobutane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylcyclobutane-1,3-diol?
The IUPAC name of 2,2-dimethylcyclobutane-1,3-diol (CID 57239380) is 2,2-dimethylcyclobutane-1,3-diol.
What is the SMILES notation for 2,2-dimethylcyclobutane-1,3-diol?
The canonical SMILES for 2,2-dimethylcyclobutane-1,3-diol is CC1(C)C(O)CC1O.
What is the InChIKey of 2,2-dimethylcyclobutane-1,3-diol?
The InChIKey is CREZVKNYLKCGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(2)4(7)3-5(6)8/h4-5,7-8H,3H2,1-2H3.
What are the key properties of 2,2-dimethylcyclobutane-1,3-diol?
2,2-dimethylcyclobutane-1,3-diol has a molecular weight of 116.16 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylcyclobutane-1,3-diol is sourced from PubChem (CID 57239380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).