3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol

C11H20O2 — CID 130893120

IUPAC3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol
SMILESCC1(C)CC(O)(C2CCOCC2)C1
InChIInChI=1S/C11H20O2/c1-10(2)7-11(12,8-10)9-3-5-13-6-4-9/h9,12H,3-8H2,1-2H3
InChIKeyJXFAEEPORIYJIA-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.96
Rot. Bonds1

About 3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol

3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol (PubChem CID 130893120) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol
PubChem CID130893120
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol
SMILESCC1(C)CC(O)(C2CCOCC2)C1
InChIInChI=1S/C11H20O2/c1-10(2)7-11(12,8-10)9-3-5-13-6-4-9/h9,12H,3-8H2,1-2H3
InChIKeyJXFAEEPORIYJIA-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol?
The IUPAC name of 3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol (CID 130893120) is 3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol is CC1(C)CC(O)(C2CCOCC2)C1.
What is the InChIKey of 3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol?
The InChIKey is JXFAEEPORIYJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)7-11(12,8-10)9-3-5-13-6-4-9/h9,12H,3-8H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol?
3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol is sourced from PubChem (CID 130893120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).