2,2-dimethylcyclobutan-1-ol

C6H12O — CID 58853091

IUPAC2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)CCC1O
InChIInChI=1S/C6H12O/c1-6(2)4-3-5(6)7/h5,7H,3-4H2,1-2H3
InChIKeyXHCDLTIWJSWMHC-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.17
Rot. Bonds

About 2,2-dimethylcyclobutan-1-ol

2,2-dimethylcyclobutan-1-ol (PubChem CID 58853091) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethylcyclobutan-1-ol
PubChem CID58853091
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)CCC1O
InChIInChI=1S/C6H12O/c1-6(2)4-3-5(6)7/h5,7H,3-4H2,1-2H3
InChIKeyXHCDLTIWJSWMHC-UHFFFAOYSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 2,2-dimethylcyclobutan-1-ol (CID 58853091) is 2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 2,2-dimethylcyclobutan-1-ol is CC1(C)CCC1O.
What is the InChIKey of 2,2-dimethylcyclobutan-1-ol?
The InChIKey is XHCDLTIWJSWMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-6(2)4-3-5(6)7/h5,7H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethylcyclobutan-1-ol?
2,2-dimethylcyclobutan-1-ol has a molecular weight of 100.16 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 58853091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).