Squalane
PubChem CID: 8089
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| Compound Synonyms | SQUALANE, 111-01-3, 2,6,10,15,19,23-Hexamethyltetracosane, Perhydrosqualene, Cosbiol, Dodecahydrosqualene, Hexamethyltetracosane, Spinacane, Vitabiosol, Robane, Tetracosane, 2,6,10,15,19,23-hexamethyl-, Hexamethyl tetracosane, Caswell No. 482A, Squalane [NF], NSC 6851, Pripure 3759, Squalan, NSC-6851, EINECS 203-825-6, Squalane (NF), EPA Pesticide Chemical Code 045503, BRN 0776019, CCRIS 9473, DTXSID0046513, AI3-36494, GW89575KF9, SQUALANE [II], SQUALANE [MI], SQUALANE [VANDF], MFCD00008953, SQUALANE [MART.], SQUALANE [USP-RS], SQUALANE [WHO-DD], SQUALANE [EP IMPURITY], SQUALANE [EP MONOGRAPH], DTXCID8026513, EC 203-825-6, 4-01-00-00593 (Beilstein Handbook Reference), NCGC00165976-01, SQUALANE (II), SQUALANE (MART.), SQUALANE (USP-RS), SQUALANE (EP IMPURITY), SQUALANE (EP MONOGRAPH), CAS-111-01-3, footcream, UNII-GW89575KF9, Squalane, 2,6,10,15,19,23-Hexamethyltetracosane, perhydrosqualene, Squalane N, GZE Sweat Stick, Squalane, 99%, REAROYAFOOTCREAM, Squalane 100 microg/mL in Acetonitrile, PURPLE HAIR MASK, SQUALANE [INCI], Collagen moisturizing cream, LGRAMERRETINOLEYECREAM, YOUNGCOME SNOW BLEACH, Squalane, analytical standard, LGRAMER PURPLE HAIR MASK, LGRAMERCollagenmoisturizingcream, YOUNGCOMEMOISTURIZINGCREAM, CHEMBL1552157, Hyaluronic acid facial care cream, NSC6851, Lgramer Hand and Foot Care Cream, HY-N7113, LGRAMERHyaluronicacidfacialcarecream, Tox21_112277, s5407, CLAFACES VITAMIN C MOISTURIZER, Squalane, technical, >=95% (GC), AKOS016012911, Tox21_112277_1, CCG-268918, CS-W014458, DB11420, FS40601, RosemaryMintShampooConditionerHairMaskOil, 2,10,15,19,23-Hexamethyltetracosane, NCGC00165976-02, 1ST40154, 2,6,10,15,19,23hexamethyltetracosane, AS-63438, DA-58062, 2,6,10,15,18,23-Hexamethyltetracosane, DB-040948, Tetracosane,6,10,15,19,23-hexamethyl-, H0096, NS00002480, Tetracosane, 2,6,10,15,19,23hexamethyl, Ultra Moisturizing Cream Foot And Hand Cream, D05915, H12051, MlELLERosemaryMintShampooConditionerHairMaskOil, SBI-0654653.0001, Q380055, SR-01000944750, SR-01000944750-1, Squalane, European Pharmacopoeia (EP) Reference Standard, Squalane, United States Pharmacopeia (USP) Reference Standard, Squalane, Pharmaceutical Secondary Standard, Certified Reference Material, 203-825-6, DH7 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 308.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02545 |
| Iupac Name | 2,6,10,15,19,23-hexamethyltetracosane |
| Prediction Hob | 0.0 |
| Target Id | NPT483 |
| Xlogp | 14.7 |
| Molecular Formula | C30H62 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PRAKJMSDJKAYCZ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -7.975 |
| Rotatable Bond Count | 21.0 |
| Logd | 8.382 |
| Compound Name | Squalane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 422.485 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.485 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 422.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -10.355421200000002 |
| Inchi | InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3 |
| Smiles | CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Tylophora Ovata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all