5-(Hydroxymethyl)oxolan-2-one
PubChem CID: 98431
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| Compound Synonyms | 5-(hydroxymethyl)dihydrofuran-2(3H)-one, 10374-51-3, 5-(hydroxymethyl)oxolan-2-one, 5-Hydroxymethyl-dihydro-furan-2-one, 2(3H)-Furanone, dihydro-5-(hydroxymethyl)-, 5-(Hydroxymethyl)dihydro-2(3H)-furanone, 5-Hydroxymethyldihydrofuran-2-one, MFCD00506240, (S)-(+)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone, DTXSID00954438, MFCD00040528, MFCD00066224, 5-(Hydroxymethyl)oxolane-2-one, (S)-(+)-2',3'-Dideoxyribonolactone, NSC128380, 5-(Hydroxymethyl)dihydro-2(3H)-furanone #, NSC 128380, SCHEMBL167570, 5-(hydroxymethyl)-2-oxolanone, WLZ3109, DTXCID901474059, DTXSID001347209, S-(+)-4-Hydroxymethyl-4-butanolide, AKOS006230276, gamma-hydroxymethyl-gamma-butyrolactone, AB89306, NSC-128380, SB44867, AS-41568, SY010497, SY076054, SY240650, 5-(Hydroxymethyl)-dihydrofuran-2(3H)-one, DB-059045, CS-0113560, EN300-189991, (+/-)-dihydro-5-hydroxymethyl-2(3H)-furanone, (+/-)-Dihydro-5-Hydroxymethyl-2 (3H)-Furanone, (+/-)-Dihydro-5-Hydroxymethyl-2(3H) -Furanone, A829262, (S)-gamma-Hydroxymethyl-gamma-butyrolactone, (S)-4,5-Dihydro-5-hydroxymethyl-2(3H)-furanone, (S)-5-Hydroxymethyl-2-oxotetrahydrofuran, 839-228-8 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 99.8 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(hydroxymethyl)oxolan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.4 |
| Molecular Formula | C5H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NSISJFFVIMQBRN-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | 0.67 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.098 |
| Compound Name | 5-(Hydroxymethyl)oxolan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 116.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 116.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 116.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.21671919999999983 |
| Inchi | InChI=1S/C5H8O3/c6-3-4-1-2-5(7)8-4/h4,6H,1-3H2 |
| Smiles | C1CC(=O)OC1CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polyalthia Nemoralis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ranunculus Ternatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all