(3-prop-1-en-2-yloxiran-2-yl)methanol

C6H10O2 — CID 86002851

IUPAC(3-prop-1-en-2-yloxiran-2-yl)methanol
SMILESC=C(C)C1OC1CO
InChIInChI=1S/C6H10O2/c1-4(2)6-5(3-7)8-6/h5-7H,1,3H2,2H3
InChIKeyFKIWTQWSCFVKMA-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.32
Rot. Bonds2

About (3-prop-1-en-2-yloxiran-2-yl)methanol

(3-prop-1-en-2-yloxiran-2-yl)methanol (PubChem CID 86002851) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (3-prop-1-en-2-yloxiran-2-yl)methanol.

Molecular Properties

Compound Name(3-prop-1-en-2-yloxiran-2-yl)methanol
PubChem CID86002851
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(3-prop-1-en-2-yloxiran-2-yl)methanol
SMILESC=C(C)C1OC1CO
InChIInChI=1S/C6H10O2/c1-4(2)6-5(3-7)8-6/h5-7H,1,3H2,2H3
InChIKeyFKIWTQWSCFVKMA-UHFFFAOYSA-N
XLogP0.32
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-Ethen yl-2-oxiranemethanol
CID 14282994
InChI=1/C5H8O2/c1-2-4-5(3-6)7-4/h2,4-6H,1,3H2/t4-,5-/m0/s
CID 5324178
[(2R,3R)-3-ethenyloxiran-2-yl]methanol
CID 11480405
4-Methylenetetrahydrofurfuryl alcohol
CID 129667874
(2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol
CID 11240553
(1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol
CID 11768585
[(2S,3S)-3-(2-methylprop-2-enyl)oxiran-2-yl]methanol
CID 23628355
[3-(2-Methylprop-2-enyl)oxiran-2-yl]methanol
CID 72951767
(3R,5S)-5-prop-1-en-2-yloxolan-3-ol
CID 102378266
[(2R)-2-prop-1-en-2-yloxiran-2-yl]methanol
CID 10996997
3-Methyl-1-(oxiran-2-yl)but-3-en-1-ol
CID 23045518
4-Methyl-2-(2-methylprop-2-enoxy)pent-4-en-1-ol
CID 60100984

Frequently Asked Questions

What is the IUPAC name of (3-prop-1-en-2-yloxiran-2-yl)methanol?
The IUPAC name of (3-prop-1-en-2-yloxiran-2-yl)methanol (CID 86002851) is (3-prop-1-en-2-yloxiran-2-yl)methanol.
What is the SMILES notation for (3-prop-1-en-2-yloxiran-2-yl)methanol?
The canonical SMILES for (3-prop-1-en-2-yloxiran-2-yl)methanol is C=C(C)C1OC1CO.
What is the InChIKey of (3-prop-1-en-2-yloxiran-2-yl)methanol?
The InChIKey is FKIWTQWSCFVKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-4(2)6-5(3-7)8-6/h5-7H,1,3H2,2H3.
What are the key properties of (3-prop-1-en-2-yloxiran-2-yl)methanol?
(3-prop-1-en-2-yloxiran-2-yl)methanol has a molecular weight of 114.14 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-prop-1-en-2-yloxiran-2-yl)methanol is sourced from PubChem (CID 86002851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).