(2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol

C9H16O2 — CID 11240621

IUPAC(2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol
SMILESC=C[C@H](C)[C@@H]1OCCC[C@H]1O
InChIInChI=1S/C9H16O2/c1-3-7(2)9-8(10)5-4-6-11-9/h3,7-10H,1,4-6H2,2H3/t7-,8+,9-/m0/s1
InChIKeyHJFLKWRMGLKDCH-YIZRAAEISA-N
MW156.22 g/mol
LogP1.35
Rot. Bonds2

About (2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol

(2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol (PubChem CID 11240621) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol
PubChem CID11240621
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol
SMILESC=C[C@H](C)[C@@H]1OCCC[C@H]1O
InChIInChI=1S/C9H16O2/c1-3-7(2)9-8(10)5-4-6-11-9/h3,7-10H,1,4-6H2,2H3/t7-,8+,9-/m0/s1
InChIKeyHJFLKWRMGLKDCH-YIZRAAEISA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol?
The IUPAC name of (2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol (CID 11240621) is (2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol.
What is the SMILES notation for (2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol?
The canonical SMILES for (2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol is C=C[C@H](C)[C@@H]1OCCC[C@H]1O.
What is the InChIKey of (2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol?
The InChIKey is HJFLKWRMGLKDCH-YIZRAAEISA-N. The full InChI is InChI=1S/C9H16O2/c1-3-7(2)9-8(10)5-4-6-11-9/h3,7-10H,1,4-6H2,2H3/t7-,8+,9-/m0/s1.
What are the key properties of (2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol?
(2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol has a molecular weight of 156.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol is sourced from PubChem (CID 11240621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).