(3-ethenyl-3-methyloxiran-2-yl)methanol

C6H10O2 — CID 86007061

IUPAC(3-ethenyl-3-methyloxiran-2-yl)methanol
SMILESC=CC1(C)OC1CO
InChIInChI=1S/C6H10O2/c1-3-6(2)5(4-7)8-6/h3,5,7H,1,4H2,2H3
InChIKeyIQUCEYDYYREXHI-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.32
Rot. Bonds2

About (3-ethenyl-3-methyloxiran-2-yl)methanol

(3-ethenyl-3-methyloxiran-2-yl)methanol (PubChem CID 86007061) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (3-ethenyl-3-methyloxiran-2-yl)methanol.

Molecular Properties

Compound Name(3-ethenyl-3-methyloxiran-2-yl)methanol
PubChem CID86007061
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(3-ethenyl-3-methyloxiran-2-yl)methanol
SMILESC=CC1(C)OC1CO
InChIInChI=1S/C6H10O2/c1-3-6(2)5(4-7)8-6/h3,5,7H,1,4H2,2H3
InChIKeyIQUCEYDYYREXHI-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
Ethylene glycol vinylglycidyl ether
CID 87755062
(2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol
CID 100946656
2-Methyl-2-prop-2-enoxypent-4-en-1-ol
CID 10583026
[(2R)-2-prop-1-en-2-yloxiran-2-yl]methanol
CID 10996997
3-Methoxy-3-methylpent-4-en-2-ol
CID 13512361
2-(3-Hydroxybutoxy)-2-methylbut-3-en-1-ol
CID 20697418
3-[3-(1,2-Dihydroxyethyl)penta-1,4-dien-3-yloxy]-3-ethenylpent-4-ene-1,2-diol
CID 87880433
(3R)-3-ethoxypent-4-ene-1,2-diol
CID 88979935
2-Ethenyl-2-methyloxolane-3,4-diol
CID 91066717

Frequently Asked Questions

What is the IUPAC name of (3-ethenyl-3-methyloxiran-2-yl)methanol?
The IUPAC name of (3-ethenyl-3-methyloxiran-2-yl)methanol (CID 86007061) is (3-ethenyl-3-methyloxiran-2-yl)methanol.
What is the SMILES notation for (3-ethenyl-3-methyloxiran-2-yl)methanol?
The canonical SMILES for (3-ethenyl-3-methyloxiran-2-yl)methanol is C=CC1(C)OC1CO.
What is the InChIKey of (3-ethenyl-3-methyloxiran-2-yl)methanol?
The InChIKey is IQUCEYDYYREXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-6(2)5(4-7)8-6/h3,5,7H,1,4H2,2H3.
What are the key properties of (3-ethenyl-3-methyloxiran-2-yl)methanol?
(3-ethenyl-3-methyloxiran-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-ethenyl-3-methyloxiran-2-yl)methanol is sourced from PubChem (CID 86007061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).