Basic information
- Standard SMILES
OCCCC12CC3CC(CC(C3)C1)C2- InChIKey
ASRLPYUFROGXNU-UHFFFAOYSA-N- Molecular formula
- C13H22O
- Average molar mass
- 194.31 g/mol
- Monoisotopic mass
- 194.16706532
Overview
a protective group for peptide synthesis; structure given in first source
Names & identifiers
- Preferred name
- 2-(1-Adamantyl)propanol
- IUPAC
- 3-(1-adamantyl)propan-1-ol
- English name
- 2-(1-adamantyl)propanol
- Molecular formula
- C13H22O
- Molecular weight
- 194.31
Names & synonyms
31685-38-82-(1-Adamantyl)propanolDTXSID10185579RefChem:83808DTXCID001080703-(1-adamantyl)propan-1-ol3-(ADAMANTAN-1-YL)PROPAN-1-OL3-(1-adamantyl)propanolorb2802294SCHEMBL1758688SCHEMBL4599429SCHEMBL28894014
Show more names
Tricyclo[3.3.1.13,7]decane-1-propanol
ASRLPYUFROGXNU-UHFFFAOYSA-NTricyclo(3.3.1.13,7)decane-1-propanolEN300-1855407T201675
Database identifiers
- CAS
31685-38-8- PubChem CID
- 64286
- DTXSID
DTXSID10185579- EC Number
- 192-409-7
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 287.4 · 287.4±8.0 °C(Predicted)
- Density
- 1.045 · 1.045±0.06 g/cm3(Predicted)
- pka
- 15.25 · 15.25±0.10(Predicted)
Chemistry & industry
Applications
UsesAdamantane-Butyl alcohol is a selective and persistent degrader targeting the CDK8-cyclin C complex. Adamantane-Butyl alcohol is the linker for LL-K8-22 (PROTAC CDK8-cyclin C, HY-149209) and HyT[1].
Suppliers3 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
2 records
Linked notes
Loading…