(3-prop-2-enyloxetan-2-yl)methanol

C7H12O2 — CID 69422031

IUPAC(3-prop-2-enyloxetan-2-yl)methanol
SMILESC=CCC1COC1CO
InChIInChI=1S/C7H12O2/c1-2-3-6-5-9-7(6)4-8/h2,6-8H,1,3-5H2
InChIKeyMWWRJTQMCSKLIS-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.57
Rot. Bonds3

About (3-prop-2-enyloxetan-2-yl)methanol

(3-prop-2-enyloxetan-2-yl)methanol (PubChem CID 69422031) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (3-prop-2-enyloxetan-2-yl)methanol.

Molecular Properties

Compound Name(3-prop-2-enyloxetan-2-yl)methanol
PubChem CID69422031
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(3-prop-2-enyloxetan-2-yl)methanol
SMILESC=CCC1COC1CO
InChIInChI=1S/C7H12O2/c1-2-3-6-5-9-7(6)4-8/h2,6-8H,1,3-5H2
InChIKeyMWWRJTQMCSKLIS-UHFFFAOYSA-N
XLogP0.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.57
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-2-enyloxetan-2-yl)methanol?
The IUPAC name of (3-prop-2-enyloxetan-2-yl)methanol (CID 69422031) is (3-prop-2-enyloxetan-2-yl)methanol.
What is the SMILES notation for (3-prop-2-enyloxetan-2-yl)methanol?
The canonical SMILES for (3-prop-2-enyloxetan-2-yl)methanol is C=CCC1COC1CO.
What is the InChIKey of (3-prop-2-enyloxetan-2-yl)methanol?
The InChIKey is MWWRJTQMCSKLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-3-6-5-9-7(6)4-8/h2,6-8H,1,3-5H2.
What are the key properties of (3-prop-2-enyloxetan-2-yl)methanol?
(3-prop-2-enyloxetan-2-yl)methanol has a molecular weight of 128.17 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-prop-2-enyloxetan-2-yl)methanol is sourced from PubChem (CID 69422031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).