Cyclododecanol
PubChem CID: 15595
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| Compound Synonyms | CYCLODODECANOL, 1724-39-6, UNII-0Z645Y4JTS, 0Z645Y4JTS, DTXSID1027429, HSDB 5850, EINECS 217-031-2, MFCD00003717, NSC 524960, NSC-524960, CYCLODODECANOL [HSDB], DTXCID707429, EC 217-031-2, CAS-1724-39-6, hydroxycyclododecane, NSC524960, SCHEMBL50090, CHEMBL1872732, BAA72439, Tox21_201801, Tox21_303196, BBL011664, STK725113, AKOS005536870, NCGC00164257-01, NCGC00164257-02, NCGC00257204-01, NCGC00259350-01, AS-44254, SY049309, DB-043900, CS-0214948, NS00002162, EN300-20698, A10314, Q2648566, F0001-0625, 217-031-2 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCCCCCCCC1 |
| Np Classifier Class | Lactones |
| Deep Smiles | OCCCCCCCCCCCC%12 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCCCCCCCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 99.7 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclododecanol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H24O |
| Scaffold Graph Node Bond Level | C1CCCCCCCCCCC1 |
| Inchi Key | SFVWPXMPRCIVOK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | cyclododecanol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | Cyclododecanol |
| Exact Mass | 184.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 184.32 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H24O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12-13H,1-11H2 |
| Smiles | C1CCCCCC(CCCCC1)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/21692682