[(2R)-2-(1-ethoxyethenyl)oxiran-2-yl]methanol

C7H12O3 — CID 165390019

IUPAC[(2R)-2-(1-ethoxyethenyl)oxiran-2-yl]methanol
SMILESC=C(OCC)[C@@]1(CO)CO1
InChIInChI=1S/C7H12O3/c1-3-9-6(2)7(4-8)5-10-7/h8H,2-5H2,1H3/t7-/m1/s1
InChIKeyBPYLBVPJLKNQIC-SSDOTTSWSA-N
MW144.17 g/mol
LogP0.30
Rot. Bonds4

About [(2R)-2-(1-ethoxyethenyl)oxiran-2-yl]methanol

[(2R)-2-(1-ethoxyethenyl)oxiran-2-yl]methanol (PubChem CID 165390019) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is [(2R)-2-(1-ethoxyethenyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-2-(1-ethoxyethenyl)oxiran-2-yl]methanol
PubChem CID165390019
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name[(2R)-2-(1-ethoxyethenyl)oxiran-2-yl]methanol
SMILESC=C(OCC)[C@@]1(CO)CO1
InChIInChI=1S/C7H12O3/c1-3-9-6(2)7(4-8)5-10-7/h8H,2-5H2,1H3/t7-/m1/s1
InChIKeyBPYLBVPJLKNQIC-SSDOTTSWSA-N
XLogP0.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-prop-1-en-2-yloxiran-2-yl]methanol
CID 10996997
(2-Ethenyloxiran-2-yl)methanol
CID 130144913
[(2R)-2-ethenyloxiran-2-yl]methanol
CID 140423810
2-(1-Methoxypropadienyl)-2-methyloxirane
CID 13011749
2-Ethoxy-2-methylbut-3-en-1-ol
CID 14940538
(2S)-2-(1-Methylethenyl)-2-oxiranemethanol
CID 130875411
[(2S)-2-ethenyloxiran-2-yl]methanol
CID 131089361

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1-ethoxyethenyl)oxiran-2-yl]methanol?
The IUPAC name of [(2R)-2-(1-ethoxyethenyl)oxiran-2-yl]methanol (CID 165390019) is [(2R)-2-(1-ethoxyethenyl)oxiran-2-yl]methanol.
What is the SMILES notation for [(2R)-2-(1-ethoxyethenyl)oxiran-2-yl]methanol?
The canonical SMILES for [(2R)-2-(1-ethoxyethenyl)oxiran-2-yl]methanol is C=C(OCC)[C@@]1(CO)CO1.
What is the InChIKey of [(2R)-2-(1-ethoxyethenyl)oxiran-2-yl]methanol?
The InChIKey is BPYLBVPJLKNQIC-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-9-6(2)7(4-8)5-10-7/h8H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of [(2R)-2-(1-ethoxyethenyl)oxiran-2-yl]methanol?
[(2R)-2-(1-ethoxyethenyl)oxiran-2-yl]methanol has a molecular weight of 144.17 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1-ethoxyethenyl)oxiran-2-yl]methanol is sourced from PubChem (CID 165390019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).