[(2R,3R)-3-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxymethoxy)oxiran-2-yl]methanol

C11H20O5 — CID 95565719

IUPAC[(2R,3R)-3-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxymethoxy)oxiran-2-yl]methanol
SMILESC=C[C@@H](C)[C@]1(OCOCCOC)O[C@@H]1CO
InChIInChI=1S/C11H20O5/c1-4-9(2)11(10(7-12)16-11)15-8-14-6-5-13-3/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10-,11+/m1/s1
InChIKeyYUPFEOQHLSYUSR-MXWKQRLJSA-N
MW232.28 g/mol
LogP0.53
Rot. Bonds9

About [(2R,3R)-3-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxymethoxy)oxiran-2-yl]methanol

[(2R,3R)-3-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxymethoxy)oxiran-2-yl]methanol (PubChem CID 95565719) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is [(2R,3R)-3-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxymethoxy)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-3-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxymethoxy)oxiran-2-yl]methanol
PubChem CID95565719
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name[(2R,3R)-3-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxymethoxy)oxiran-2-yl]methanol
SMILESC=C[C@@H](C)[C@]1(OCOCCOC)O[C@@H]1CO
InChIInChI=1S/C11H20O5/c1-4-9(2)11(10(7-12)16-11)15-8-14-6-5-13-3/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10-,11+/m1/s1
InChIKeyYUPFEOQHLSYUSR-MXWKQRLJSA-N
XLogP0.53
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxymethoxy)oxiran-2-yl]methanol?
The IUPAC name of [(2R,3R)-3-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxymethoxy)oxiran-2-yl]methanol (CID 95565719) is [(2R,3R)-3-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxymethoxy)oxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3R)-3-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxymethoxy)oxiran-2-yl]methanol?
The canonical SMILES for [(2R,3R)-3-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxymethoxy)oxiran-2-yl]methanol is C=C[C@@H](C)[C@]1(OCOCCOC)O[C@@H]1CO.
What is the InChIKey of [(2R,3R)-3-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxymethoxy)oxiran-2-yl]methanol?
The InChIKey is YUPFEOQHLSYUSR-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H20O5/c1-4-9(2)11(10(7-12)16-11)15-8-14-6-5-13-3/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10-,11+/m1/s1.
What are the key properties of [(2R,3R)-3-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxymethoxy)oxiran-2-yl]methanol?
[(2R,3R)-3-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxymethoxy)oxiran-2-yl]methanol has a molecular weight of 232.28 g/mol, XLogP of 0.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxymethoxy)oxiran-2-yl]methanol is sourced from PubChem (CID 95565719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).