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

C6H10O2 — CID 10887864

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

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

(2S)-1-[(2S)-oxiran-2-yl]but-3-en-2-ol (PubChem CID 10887864) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (2S)-1-[(2S)-oxiran-2-yl]but-3-en-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S)-oxiran-2-yl]but-3-en-2-ol
PubChem CID10887864
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(2S)-1-[(2S)-oxiran-2-yl]but-3-en-2-ol
SMILESC=C[C@@H](O)C[C@H]1CO1
InChIInChI=1S/C6H10O2/c1-2-5(7)3-6-4-8-6/h2,5-7H,1,3-4H2/t5-,6+/m1/s1
InChIKeyICVCCOQKNDCWOM-RITPCOANSA-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 (2S)-1-[(2S)-oxiran-2-yl]but-3-en-2-ol?
The IUPAC name of (2S)-1-[(2S)-oxiran-2-yl]but-3-en-2-ol (CID 10887864) is (2S)-1-[(2S)-oxiran-2-yl]but-3-en-2-ol.
What is the SMILES notation for (2S)-1-[(2S)-oxiran-2-yl]but-3-en-2-ol?
The canonical SMILES for (2S)-1-[(2S)-oxiran-2-yl]but-3-en-2-ol is C=C[C@@H](O)C[C@H]1CO1.
What is the InChIKey of (2S)-1-[(2S)-oxiran-2-yl]but-3-en-2-ol?
The InChIKey is ICVCCOQKNDCWOM-RITPCOANSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-5(7)3-6-4-8-6/h2,5-7H,1,3-4H2/t5-,6+/m1/s1.
What are the key properties of (2S)-1-[(2S)-oxiran-2-yl]but-3-en-2-ol?
(2S)-1-[(2S)-oxiran-2-yl]but-3-en-2-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 (2S)-1-[(2S)-oxiran-2-yl]but-3-en-2-ol is sourced from PubChem (CID 10887864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).