1-Methylcycloheptan-1-ol
PubChem CID: 77376
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| Compound Synonyms | 1-Methylcycloheptanol, 3761-94-2, 1-Methylcycloheptan-1-ol, Cycloheptanol, 1-methyl-, 1-Methylcycloheptanol-1, EINECS 223-179-9, DTXSID70191050, NSC 100735, 1-methyl-cycloheptanol, MFCD00021672, NSC100735, 1Methylcycloheptan1ol, Methylcycloheptanol-1, SCHEMBL353978, DTXCID80113541, DAA76194, AKOS009158338, NSC-100735, SB84206, AS-57609, CS-0309091, NS00030228, D93172, EN300-156453, Z449370874, 223-179-9 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 80.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methylcycloheptan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C8H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | XFFKAYOHINCUNU-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.336 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.597 |
| Compound Name | 1-Methylcycloheptan-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 128.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8130330000000003 |
| Inchi | InChI=1S/C8H16O/c1-8(9)6-4-2-3-5-7-8/h9H,2-7H2,1H3 |
| Smiles | CC1(CCCCCC1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients