4-[(2S)-but-3-en-2-yl]-5-hydroxy-4-methyloxolan-2-one

C9H14O3 — CID 163541254

IUPAC4-[(2S)-but-3-en-2-yl]-5-hydroxy-4-methyloxolan-2-one
SMILESC=C[C@H](C)C1(C)CC(=O)OC1O
InChIInChI=1S/C9H14O3/c1-4-6(2)9(3)5-7(10)12-8(9)11/h4,6,8,11H,1,5H2,2-3H3/t6-,8?,9?/m0/s1
InChIKeyFBGOFMYGFHUYNW-GVWIPJJGSA-N
MW170.21 g/mol
LogP1.08
Rot. Bonds2

About 4-[(2S)-but-3-en-2-yl]-5-hydroxy-4-methyloxolan-2-one

4-[(2S)-but-3-en-2-yl]-5-hydroxy-4-methyloxolan-2-one (PubChem CID 163541254) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-[(2S)-but-3-en-2-yl]-5-hydroxy-4-methyloxolan-2-one.

Molecular Properties

Compound Name4-[(2S)-but-3-en-2-yl]-5-hydroxy-4-methyloxolan-2-one
PubChem CID163541254
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name4-[(2S)-but-3-en-2-yl]-5-hydroxy-4-methyloxolan-2-one
SMILESC=C[C@H](C)C1(C)CC(=O)OC1O
InChIInChI=1S/C9H14O3/c1-4-6(2)9(3)5-7(10)12-8(9)11/h4,6,8,11H,1,5H2,2-3H3/t6-,8?,9?/m0/s1
InChIKeyFBGOFMYGFHUYNW-GVWIPJJGSA-N
XLogP1.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Hydroxy-4-methyl-3-(prop-2-en-1-yl)tetra-hydrofuran-2-one
CID 129741946
3-Methyl-5-oxo-4-(prop-2-en-1-yl)-tetrahydrofuran-2-yl acetate
CID 129742427
5-Hydroxy-4-oct-2-enyloxolan-2-one
CID 146947431
(3R)-3-ethyl-5-hydroxy-3-prop-2-enyloxolan-2-one
CID 11298202
5-Hydroxy-3-prop-2-enyloxolan-2-one
CID 67860712
[R*,R*]alpha-(2-Methylpropyl)-alpha-(propen-2-yl)-gamma-hydroxy-gamma-butyrolactone
CID 86751987
Oxolan-2-yl 2,2,4-trimethylhex-5-enoate
CID 89062130
3-hydroxy-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 89185218
(5R)-5-hydroxy-3-prop-2-enyloxolan-2-one
CID 89516485
(5S)-5-hydroxy-4-prop-2-enyloxolan-2-one
CID 89516576
5-Hydroxy-4-(5,5,7,7-tetramethylnon-2-enyl)oxolan-2-one
CID 123747050
CID 124016689
CID 124016689

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-but-3-en-2-yl]-5-hydroxy-4-methyloxolan-2-one?
The IUPAC name of 4-[(2S)-but-3-en-2-yl]-5-hydroxy-4-methyloxolan-2-one (CID 163541254) is 4-[(2S)-but-3-en-2-yl]-5-hydroxy-4-methyloxolan-2-one.
What is the SMILES notation for 4-[(2S)-but-3-en-2-yl]-5-hydroxy-4-methyloxolan-2-one?
The canonical SMILES for 4-[(2S)-but-3-en-2-yl]-5-hydroxy-4-methyloxolan-2-one is C=C[C@H](C)C1(C)CC(=O)OC1O.
What is the InChIKey of 4-[(2S)-but-3-en-2-yl]-5-hydroxy-4-methyloxolan-2-one?
The InChIKey is FBGOFMYGFHUYNW-GVWIPJJGSA-N. The full InChI is InChI=1S/C9H14O3/c1-4-6(2)9(3)5-7(10)12-8(9)11/h4,6,8,11H,1,5H2,2-3H3/t6-,8?,9?/m0/s1.
What are the key properties of 4-[(2S)-but-3-en-2-yl]-5-hydroxy-4-methyloxolan-2-one?
4-[(2S)-but-3-en-2-yl]-5-hydroxy-4-methyloxolan-2-one has a molecular weight of 170.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-but-3-en-2-yl]-5-hydroxy-4-methyloxolan-2-one is sourced from PubChem (CID 163541254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).