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

C6H10O2 — CID 14906715

IUPAC(1R)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
SMILESC=CC[C@@H](O)[C@H]1CO1
InChIInChI=1S/C6H10O2/c1-2-3-5(7)6-4-8-6/h2,5-7H,1,3-4H2/t5-,6-/m1/s1
InChIKeyVILPYGZJVYZDEW-PHDIDXHHSA-N
MW114.14 g/mol
LogP0.32
Rot. Bonds3

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

(1R)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol (PubChem CID 14906715) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (1R)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
PubChem CID14906715
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(1R)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
SMILESC=CC[C@@H](O)[C@H]1CO1
InChIInChI=1S/C6H10O2/c1-2-3-5(7)6-4-8-6/h2,5-7H,1,3-4H2/t5-,6-/m1/s1
InChIKeyVILPYGZJVYZDEW-PHDIDXHHSA-N
XLogP0.32
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol?
The IUPAC name of (1R)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol (CID 14906715) is (1R)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol.
What is the SMILES notation for (1R)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol?
The canonical SMILES for (1R)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol is C=CC[C@@H](O)[C@H]1CO1.
What is the InChIKey of (1R)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol?
The InChIKey is VILPYGZJVYZDEW-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-3-5(7)6-4-8-6/h2,5-7H,1,3-4H2/t5-,6-/m1/s1.
What are the key properties of (1R)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol?
(1R)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol has a molecular weight of 114.14 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol is sourced from PubChem (CID 14906715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).