3,3-dimethoxycyclobutan-1-ol

C6H12O3 — CID 130945109

IUPAC3,3-dimethoxycyclobutan-1-ol
SMILESCOC1(OC)CC(O)C1
InChIInChI=1S/C6H12O3/c1-8-6(9-2)3-5(7)4-6/h5,7H,3-4H2,1-2H3
InChIKeySVJAHCCZKKZMMK-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.13
Rot. Bonds2

About 3,3-dimethoxycyclobutan-1-ol

3,3-dimethoxycyclobutan-1-ol (PubChem CID 130945109) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3,3-dimethoxycyclobutan-1-ol.

Molecular Properties

Compound Name3,3-dimethoxycyclobutan-1-ol
PubChem CID130945109
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name3,3-dimethoxycyclobutan-1-ol
SMILESCOC1(OC)CC(O)C1
InChIInChI=1S/C6H12O3/c1-8-6(9-2)3-5(7)4-6/h5,7H,3-4H2,1-2H3
InChIKeySVJAHCCZKKZMMK-UHFFFAOYSA-N
XLogP0.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxycyclobutan-1-ol?
The IUPAC name of 3,3-dimethoxycyclobutan-1-ol (CID 130945109) is 3,3-dimethoxycyclobutan-1-ol.
What is the SMILES notation for 3,3-dimethoxycyclobutan-1-ol?
The canonical SMILES for 3,3-dimethoxycyclobutan-1-ol is COC1(OC)CC(O)C1.
What is the InChIKey of 3,3-dimethoxycyclobutan-1-ol?
The InChIKey is SVJAHCCZKKZMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-8-6(9-2)3-5(7)4-6/h5,7H,3-4H2,1-2H3.
What are the key properties of 3,3-dimethoxycyclobutan-1-ol?
3,3-dimethoxycyclobutan-1-ol has a molecular weight of 132.16 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxycyclobutan-1-ol is sourced from PubChem (CID 130945109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).