Basic information
- CAS
54004-34-1- Standard SMILES
CC1=COC(C)(CO)CC1- InChIKey
HNVJQYHJDJMALK-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 3,4-Dihydro-2,5-dimethyl-2H-pyran-2-methanol
- IUPAC
- (2,5-dimethyl-3,4-dihydropyran-2-yl)methanol
- English name
- 3,4-dihydro-2,5-dimethyl-2H-pyran-2-methanol
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
3,4-Dihydro-2,5-dimethyl-2H-pyran-2-methanol54004-34-1EINECS 258-912-1NSC 82306RefChem:91076258-912-1(2,5-dimethyl-3,4-dihydropyran-2-yl)methanol(2,5-Dimethyl-3,4-dihydro-2H-pyran-2-yl)methanol2,5-Dimethyl-3,4-dihydro-2H-pyran-2-carbinolNSC823062H-Pyran-2-methanol, 3,4-dihydro-2,5-dimethyl-2,5-DIMETHYL-2,3-DIHYDRO-4H-PYRAN-2-METHANOL
Show more names
SCHEMBL10874861DTXSID709706602,4-dihydro-2H-pyran-2-carbinolNSC-82306AKOS024332383DB-356611NS000579042H-Pyran-2-methanol,4-dihydro-2,5-dimethyl-
Database identifiers
- CAS
54004-34-1、55326-07-3- PubChem CID
- 98144
- DTXSID
DTXSID70970660- EC Number
- 258-912-1
- Nikkaji
- J110.626K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 93 · 93-94 °C(Press: 12 Torr)
- Density
- 1.016 g/cm3 · 1.0160 g/cm3
- pka
- 14.34 · 14.34±0.10(Predicted)
Chemistry & industry
Suppliers3 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
晶墨(厦门)生物科技有限公司13621943973; 13621943973 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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