3,3-dimethylcyclobutane-1,2-diol

C6H12O2 — CID 12791421

IUPAC3,3-dimethylcyclobutane-1,2-diol
SMILESCC1(C)CC(O)C1O
InChIInChI=1S/C6H12O2/c1-6(2)3-4(7)5(6)8/h4-5,7-8H,3H2,1-2H3
InChIKeyWEKSLMZQHJLBGL-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.14
Rot. Bonds

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

3,3-dimethylcyclobutane-1,2-diol (PubChem CID 12791421) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3,3-dimethylcyclobutane-1,2-diol.

Molecular Properties

Compound Name3,3-dimethylcyclobutane-1,2-diol
PubChem CID12791421
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name3,3-dimethylcyclobutane-1,2-diol
SMILESCC1(C)CC(O)C1O
InChIInChI=1S/C6H12O2/c1-6(2)3-4(7)5(6)8/h4-5,7-8H,3H2,1-2H3
InChIKeyWEKSLMZQHJLBGL-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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylcyclobutane-1,2-diol?
The IUPAC name of 3,3-dimethylcyclobutane-1,2-diol (CID 12791421) is 3,3-dimethylcyclobutane-1,2-diol.
What is the SMILES notation for 3,3-dimethylcyclobutane-1,2-diol?
The canonical SMILES for 3,3-dimethylcyclobutane-1,2-diol is CC1(C)CC(O)C1O.
What is the InChIKey of 3,3-dimethylcyclobutane-1,2-diol?
The InChIKey is WEKSLMZQHJLBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(2)3-4(7)5(6)8/h4-5,7-8H,3H2,1-2H3.
What are the key properties of 3,3-dimethylcyclobutane-1,2-diol?
3,3-dimethylcyclobutane-1,2-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 3,3-dimethylcyclobutane-1,2-diol is sourced from PubChem (CID 12791421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).