(1S,2R)-2-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol

C8H14O4 — CID 10855980

IUPAC(1S,2R)-2-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
SMILESC=C[C@@H](OCOC)[C@H](O)[C@H]1CO1
InChIInChI=1S/C8H14O4/c1-3-6(12-5-10-2)8(9)7-4-11-7/h3,6-9H,1,4-5H2,2H3/t6-,7-,8+/m1/s1
InChIKeyZBLYSNLUCKIURQ-PRJMDXOYSA-N
MW174.20 g/mol
LogP-0.08
Rot. Bonds6

About (1S,2R)-2-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol

(1S,2R)-2-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol (PubChem CID 10855980) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (1S,2R)-2-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
PubChem CID10855980
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(1S,2R)-2-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
SMILESC=C[C@@H](OCOC)[C@H](O)[C@H]1CO1
InChIInChI=1S/C8H14O4/c1-3-6(12-5-10-2)8(9)7-4-11-7/h3,6-9H,1,4-5H2,2H3/t6-,7-,8+/m1/s1
InChIKeyZBLYSNLUCKIURQ-PRJMDXOYSA-N
XLogP-0.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (1S,2R)-2-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol?
The IUPAC name of (1S,2R)-2-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol (CID 10855980) is (1S,2R)-2-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol.
What is the SMILES notation for (1S,2R)-2-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol?
The canonical SMILES for (1S,2R)-2-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol is C=C[C@@H](OCOC)[C@H](O)[C@H]1CO1.
What is the InChIKey of (1S,2R)-2-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol?
The InChIKey is ZBLYSNLUCKIURQ-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-3-6(12-5-10-2)8(9)7-4-11-7/h3,6-9H,1,4-5H2,2H3/t6-,7-,8+/m1/s1.
What are the key properties of (1S,2R)-2-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol?
(1S,2R)-2-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol has a molecular weight of 174.20 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol is sourced from PubChem (CID 10855980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).