[(2R,3R)-3-[(E,2S)-hex-4-en-2-yl]oxiran-2-yl]methanol

C9H16O2 — CID 11829689

IUPAC[(2R,3R)-3-[(E,2S)-hex-4-en-2-yl]oxiran-2-yl]methanol
SMILESC/C=C/C[C@H](C)[C@H]1O[C@@H]1CO
InChIInChI=1S/C9H16O2/c1-3-4-5-7(2)9-8(6-10)11-9/h3-4,7-10H,5-6H2,1-2H3/b4-3+/t7-,8+,9+/m0/s1
InChIKeyAILNKBOKNJQZRS-IYYSROKISA-N
MW156.22 g/mol
LogP1.35
Rot. Bonds4

About [(2R,3R)-3-[(E,2S)-hex-4-en-2-yl]oxiran-2-yl]methanol

[(2R,3R)-3-[(E,2S)-hex-4-en-2-yl]oxiran-2-yl]methanol (PubChem CID 11829689) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [(2R,3R)-3-[(E,2S)-hex-4-en-2-yl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-3-[(E,2S)-hex-4-en-2-yl]oxiran-2-yl]methanol
PubChem CID11829689
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[(2R,3R)-3-[(E,2S)-hex-4-en-2-yl]oxiran-2-yl]methanol
SMILESC/C=C/C[C@H](C)[C@H]1O[C@@H]1CO
InChIInChI=1S/C9H16O2/c1-3-4-5-7(2)9-8(6-10)11-9/h3-4,7-10H,5-6H2,1-2H3/b4-3+/t7-,8+,9+/m0/s1
InChIKeyAILNKBOKNJQZRS-IYYSROKISA-N
XLogP1.35
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.35
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 [(2R,3R)-3-[(E,2S)-hex-4-en-2-yl]oxiran-2-yl]methanol?
The IUPAC name of [(2R,3R)-3-[(E,2S)-hex-4-en-2-yl]oxiran-2-yl]methanol (CID 11829689) is [(2R,3R)-3-[(E,2S)-hex-4-en-2-yl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3R)-3-[(E,2S)-hex-4-en-2-yl]oxiran-2-yl]methanol?
The canonical SMILES for [(2R,3R)-3-[(E,2S)-hex-4-en-2-yl]oxiran-2-yl]methanol is C/C=C/C[C@H](C)[C@H]1O[C@@H]1CO.
What is the InChIKey of [(2R,3R)-3-[(E,2S)-hex-4-en-2-yl]oxiran-2-yl]methanol?
The InChIKey is AILNKBOKNJQZRS-IYYSROKISA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-5-7(2)9-8(6-10)11-9/h3-4,7-10H,5-6H2,1-2H3/b4-3+/t7-,8+,9+/m0/s1.
What are the key properties of [(2R,3R)-3-[(E,2S)-hex-4-en-2-yl]oxiran-2-yl]methanol?
[(2R,3R)-3-[(E,2S)-hex-4-en-2-yl]oxiran-2-yl]methanol has a molecular weight of 156.22 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-[(E,2S)-hex-4-en-2-yl]oxiran-2-yl]methanol is sourced from PubChem (CID 11829689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).