3-prop-1-enyloxetan-3-ol

C6H10O2 — CID 155317734

IUPAC3-prop-1-enyloxetan-3-ol
SMILESCC=CC1(O)COC1
InChIInChI=1S/C6H10O2/c1-2-3-6(7)4-8-5-6/h2-3,7H,4-5H2,1H3
InChIKeyYASRBTUFFFRUQA-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.32
Rot. Bonds1

About 3-prop-1-enyloxetan-3-ol

3-prop-1-enyloxetan-3-ol (PubChem CID 155317734) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 3-prop-1-enyloxetan-3-ol.

Molecular Properties

Compound Name3-prop-1-enyloxetan-3-ol
PubChem CID155317734
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3-prop-1-enyloxetan-3-ol
SMILESCC=CC1(O)COC1
InChIInChI=1S/C6H10O2/c1-2-3-6(7)4-8-5-6/h2-3,7H,4-5H2,1H3
InChIKeyYASRBTUFFFRUQA-UHFFFAOYSA-N
XLogP0.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.32
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-prop-1-enyloxetan-3-ol?
The IUPAC name of 3-prop-1-enyloxetan-3-ol (CID 155317734) is 3-prop-1-enyloxetan-3-ol.
What is the SMILES notation for 3-prop-1-enyloxetan-3-ol?
The canonical SMILES for 3-prop-1-enyloxetan-3-ol is CC=CC1(O)COC1.
What is the InChIKey of 3-prop-1-enyloxetan-3-ol?
The InChIKey is YASRBTUFFFRUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-3-6(7)4-8-5-6/h2-3,7H,4-5H2,1H3.
What are the key properties of 3-prop-1-enyloxetan-3-ol?
3-prop-1-enyloxetan-3-ol has a molecular weight of 114.14 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-enyloxetan-3-ol is sourced from PubChem (CID 155317734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).