Showing Metabocard for sulcatol (BASm0000440)
| Common Name | Sulcatol |
|---|---|
| Description | (R)-Sulcatol is found in herbs and spices. (R)-Sulcatol occurs in lemongrass oi |
| Structure | |
| Molecular Formula | C8H16O |
| Average Mass | 128.21200 |
| Monoisotopic Mass | 128.12012 |
| IUPAC Name | 6-methylhept-5-en-2-ol |
| Traditional Name | 6-methyl-5-hepten-2-ol |
| CAS Registry Number | 4630-06-02 |
| SMILES | CC(C)=CCCC(C)O |
| InChI Identifier | InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3 |
| InChI Key | OHEFFKYYKJVVOX-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:15833 |
| HMDB ID | HMDB0030030 |
| State | Not Available |
| Water Solubility | 7.14e+00 g/l |
| logP | 2.29 |
| logS | -1.25 |
| pKa (Strongest Acidic) | 17.80 |
| pKa (Strongest Basic) | -1.57 |
| Hydrogen Acceptor Count | 1 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 20.23 Ų |
| Rotatable Bond Count | 3 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 41.15 m³·mol⁻¹ |
| Polarizability | 16.19 |