(2S,3S,5R)-5-ethyl-2-[(E)-prop-1-enyl]oxolan-3-ol

C9H16O2 — CID 135042819

IUPAC(2S,3S,5R)-5-ethyl-2-[(E)-prop-1-enyl]oxolan-3-ol
SMILESC/C=C/[C@@H]1O[C@H](CC)C[C@@H]1O
InChIInChI=1S/C9H16O2/c1-3-5-9-8(10)6-7(4-2)11-9/h3,5,7-10H,4,6H2,1-2H3/b5-3+/t7-,8+,9+/m1/s1
InChIKeyPPCOVODTNDEAJR-BSOIJCQJSA-N
MW156.22 g/mol
LogP1.49
Rot. Bonds2

About (2S,3S,5R)-5-ethyl-2-[(E)-prop-1-enyl]oxolan-3-ol

(2S,3S,5R)-5-ethyl-2-[(E)-prop-1-enyl]oxolan-3-ol (PubChem CID 135042819) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2S,3S,5R)-5-ethyl-2-[(E)-prop-1-enyl]oxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,5R)-5-ethyl-2-[(E)-prop-1-enyl]oxolan-3-ol
PubChem CID135042819
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2S,3S,5R)-5-ethyl-2-[(E)-prop-1-enyl]oxolan-3-ol
SMILESC/C=C/[C@@H]1O[C@H](CC)C[C@@H]1O
InChIInChI=1S/C9H16O2/c1-3-5-9-8(10)6-7(4-2)11-9/h3,5,7-10H,4,6H2,1-2H3/b5-3+/t7-,8+,9+/m1/s1
InChIKeyPPCOVODTNDEAJR-BSOIJCQJSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Aureonitol
CID 25064137
(2S,3R,4S)-2-[(1E)-buta-1,3-dienyl]-4-[(E,4S)-4-hydroxypent-1-enyl]oxolan-3-ol
CID 164608932
(2R,3S,4R)-2-[(1E)-1,3-Butadienyl]-4-[(1E,3E)-1,3-pentadienyl]tetrahydrofuran-3-ol
CID 24764408
2-(Buta-1,3-dien-1-YL)-4-(penta-1,3-dien-1-YL)oxolan-3-OL
CID 71353983
(2R,3R,4R,5R,6S,E)-2-(hydroxymethyl)-6-(prop-1-enyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 44586823
(2S,3S,4R)-2-[(1E)-buta-1,3-dienyl]-4-[(1E,3E)-penta-1,3-dienyl]oxolan-3-ol
CID 164623701
(3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol
CID 10702711
(3S,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol
CID 10773904
(2R,3R,4R)-2-[(1E)-buta-1,3-dienyl]-4-[(1E,3E)-penta-1,3-dienyl]oxolan-3-ol
CID 102601442
Trienylfuranol A
CID 132571658
Penicillar E
CID 139586334
Penicillar D
CID 139588226

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-5-ethyl-2-[(E)-prop-1-enyl]oxolan-3-ol?
The IUPAC name of (2S,3S,5R)-5-ethyl-2-[(E)-prop-1-enyl]oxolan-3-ol (CID 135042819) is (2S,3S,5R)-5-ethyl-2-[(E)-prop-1-enyl]oxolan-3-ol.
What is the SMILES notation for (2S,3S,5R)-5-ethyl-2-[(E)-prop-1-enyl]oxolan-3-ol?
The canonical SMILES for (2S,3S,5R)-5-ethyl-2-[(E)-prop-1-enyl]oxolan-3-ol is C/C=C/[C@@H]1O[C@H](CC)C[C@@H]1O.
What is the InChIKey of (2S,3S,5R)-5-ethyl-2-[(E)-prop-1-enyl]oxolan-3-ol?
The InChIKey is PPCOVODTNDEAJR-BSOIJCQJSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-9-8(10)6-7(4-2)11-9/h3,5,7-10H,4,6H2,1-2H3/b5-3+/t7-,8+,9+/m1/s1.
What are the key properties of (2S,3S,5R)-5-ethyl-2-[(E)-prop-1-enyl]oxolan-3-ol?
(2S,3S,5R)-5-ethyl-2-[(E)-prop-1-enyl]oxolan-3-ol has a molecular weight of 156.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-5-ethyl-2-[(E)-prop-1-enyl]oxolan-3-ol is sourced from PubChem (CID 135042819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).