3-(2-methylprop-2-enyl)oxetan-3-ol

C7H12O2 — CID 75406860

IUPAC3-(2-methylprop-2-enyl)oxetan-3-ol
SMILESC=C(C)CC1(O)COC1
InChIInChI=1S/C7H12O2/c1-6(2)3-7(8)4-9-5-7/h8H,1,3-5H2,2H3
InChIKeyZNYPBNFUPMJEGV-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.71
Rot. Bonds2

About 3-(2-methylprop-2-enyl)oxetan-3-ol

3-(2-methylprop-2-enyl)oxetan-3-ol (PubChem CID 75406860) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-(2-methylprop-2-enyl)oxetan-3-ol.

Molecular Properties

Compound Name3-(2-methylprop-2-enyl)oxetan-3-ol
PubChem CID75406860
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-(2-methylprop-2-enyl)oxetan-3-ol
SMILESC=C(C)CC1(O)COC1
InChIInChI=1S/C7H12O2/c1-6(2)3-7(8)4-9-5-7/h8H,1,3-5H2,2H3
InChIKeyZNYPBNFUPMJEGV-UHFFFAOYSA-N
XLogP0.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enyl)oxetan-3-ol?
The IUPAC name of 3-(2-methylprop-2-enyl)oxetan-3-ol (CID 75406860) is 3-(2-methylprop-2-enyl)oxetan-3-ol.
What is the SMILES notation for 3-(2-methylprop-2-enyl)oxetan-3-ol?
The canonical SMILES for 3-(2-methylprop-2-enyl)oxetan-3-ol is C=C(C)CC1(O)COC1.
What is the InChIKey of 3-(2-methylprop-2-enyl)oxetan-3-ol?
The InChIKey is ZNYPBNFUPMJEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-6(2)3-7(8)4-9-5-7/h8H,1,3-5H2,2H3.
What are the key properties of 3-(2-methylprop-2-enyl)oxetan-3-ol?
3-(2-methylprop-2-enyl)oxetan-3-ol has a molecular weight of 128.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enyl)oxetan-3-ol is sourced from PubChem (CID 75406860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).