Tetrahydro-2-furancarboxaldehyde
PubChem CID: 24354
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| Compound Synonyms | 7681-84-7, tetrahydrofuran-2-carbaldehyde, Tetrahydro-2-furancarboxaldehyde, Tetrahydro-furan-2-carbaldehyde, Tetrahydrofurfural, oxolane-2-carbaldehyde, 2-Furancarboxaldehyde, tetrahydro-, USAF Q-4, 2-FURALDEHYDE, TETRAHYDRO-, tetrahydrofuran-2-carboxaldehyde, MFCD01726184, Furancarboxaldehyde, tetrahydro-, NSC 97502, BRN 0106552, AI3-25433, NSC97502, WLN: T5OTJ BVH, SCHEMBL21145, 5-17-09-00027 (Beilstein Handbook Reference), terahydrofuran-2-carboxaldehyde, DTXSID00871196, BBNYLDSWVXSNOQ-UHFFFAOYSA-N, (2r)-tetrahydro-2-furancarbaldehyde, NSC-97502, (+/-)-tetrahydrofuran-2-carbaldehyde, AKOS009350555, FT29422, SB38660, AC-22531, AS-47570, SY024520, DB-075188, Tetrahydro-2-furancarboxaldehyde, AldrichCPR, EN300-49461, F14359, TETRAHYDRO-FURAN-2-CARBALDEHYDE (50% TOLUENE SOLUTION), 627-944-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | O=CCCCCO5 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Tetrahydrofurans |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 70.5 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | oxolane-2-carbaldehyde |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H8O2 |
| Scaffold Graph Node Bond Level | C1CCOC1 |
| Inchi Key | BBNYLDSWVXSNOQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | tetahydrofurfural |
| Esol Class | Very soluble |
| Functional Groups | CC=O, COC |
| Compound Name | Tetrahydro-2-furancarboxaldehyde |
| Exact Mass | 100.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 100.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 100.12 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H8O2/c6-4-5-2-1-3-7-5/h4-5H,1-3H2 |
| Smiles | C1CC(OC1)C=O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Aesculus Hippocastanum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698436