Basic information
- CAS
50428-39-2- Standard SMILES
CC(C)(C)C#CC(O)C#CC(C)(C)C- InChIKey
KGZASKNUKKURJQ-UHFFFAOYSA-N- Molecular formula
- C13H20O
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.15141526
Names & identifiers
- Preferred name
- 2,2,8,8-Tetramethyl-3,6-nonadiyn-5-ol
- IUPAC
- 2,2,8,8-tetramethylnona-3,6-diyn-5-ol
- English name
- 1,3-Dineopentylidyne-2-propanol
- Molecular formula
- C13H20O
- Molecular weight
- 192.3
Names & synonyms
2,2,8,8-Tetramethyl-3,6-nonadiyn-5-ol50428-39-22,2,8,8-tetramethylnona-3,6-diyn-5-ol1,3-Dineopentylidyne-2-propanolMFCD067971851,5-Di-tert-butyl-1,4-pentadiyn-3-olSCHEMBL487228DTXSID70463325AKOS015841155BS-456432288-Tetramethyl-36-nonadiyn-5-ol2,2,8,8-tetramethyl-nona-3,6-diyn-5-ol
Show more names
3,6-Nonadiyn-5-ol, 2,2,8,8-tetramethyl-1,5-Di-tert-butyl-1,4-pentadiyn-3-ol 1,3-Dineopentylidyne-2-propanol
CS-0154939T72529F689883
Database identifiers
- CAS
50428-39-2- PubChem CID
- 11355997
- DTXSID
DTXSID70463325- Nikkaji
- J1.799.534K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 80 °C · 80 °C
- HS Code
- 2905299090 · 2905299090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2905299090
Chemistry & industry
Suppliers28 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海道鞅科技有限公司QQ:3150471267 13381681725 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
郑州阿尔法化工有限公司0371-53778726 18003825608 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
Related reactions
8 records
Compound notes
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