2-Pentyn-1-ol, 5-(methoxymethoxy)-
Basic information
- CAS
86197-09-3- Standard SMILES
COCOCCC#CCO- InChIKey
RVYRWHDMPCKJID-UHFFFAOYSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Names & identifiers
- Preferred name
- 2-Pentyn-1-ol, 5-(methoxymethoxy)-
- IUPAC
- 5-(methoxymethoxy)pent-2-yn-1-ol
- English name
- 2-Pentyn-1-ol, 5-(methoxymethoxy)-
- Molecular formula
- C7H12O3
- Molecular weight
- 144.17
Names & synonyms
86197-09-32-Pentyn-1-ol, 5-(methoxymethoxy)-DTXSID80326811RefChem:265062DTXCID702779245-(methoxymethoxy)pent-2-yn-1-ol5-methoxymethoxy-2-pentyn-1-olNSC6172965-(methoxymethyloxy)-pent-2-yn-1-olCHEMBL2004904SCHEMBL238536905-(methoxymethoxy)-2-pentyn-1-ol
Show more names
NSC-617296NCI60_005208
Database identifiers
- CAS
86197-09-3- PubChem CID
- 357773
- DTXSID
DTXSID80326811- ChEMBL
CHEMBL2004904- Nikkaji
- J3.024.554G
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 223.2 · 223.2±25.0 °C(Predicted)
- Density
- 1.047 · 1.047±0.06 g/cm3(Predicted)
- pka
- 12.97 · 12.97±0.10(Predicted)
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Related reactions
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Compound notes
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