Basic information
- CAS
165963-57-5- Standard SMILES
CC1(O)C2CC3CC1CC(O)(C3)C2- InChIKey
ALZUAKQPIUGQKR-UHFFFAOYSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067981
Names & identifiers
- Preferred name
- 4-Methyladamantane-1,4-diol
- IUPAC
- 4-methyladamantane-1,4-diol
- English name
- 2-Methyl-2,5-adaMantanediol
- Molecular formula
- C11H18O2
- Molecular weight
- 182.26
Names & synonyms
4-Methyladamantane-1,4-diol165963-57-52-methyl-2,5-adamantanediolSCHEMBL19457925DTXSID906025925-Hydroxy-2-methyl-2-adamantanolAKOS015918023FH66634SB84849DB-3034574-Methyltricyclo[3.3.1.1~3,7~]decane-1,4-diol4-Methyltricyclo[3.3.1.1(3,7)]decane-1,4-diol
Show more names
Tricyclo[3.3.1.13,7]decane-1,4-diol, 4-methyl-
Database identifiers
- CAS
165963-57-5- PubChem CID
- 20111909
- DTXSID
DTXSID90602592
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 308.7 · 308.7±10.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · 2-8°C
- pka
- 14.66 · 14.66±0.40(Predicted)
Chemistry & industry
Suppliers7 total
无锡中坤生化科技有限公司+86 0510-85629785
雷丁试剂0510-85629785 18013409632 · [email protected]
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Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
海蔚化学86-21-51086038 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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