Basic information
- CAS
1606-84-4- Standard SMILES
OCC#CCOCCO- InChIKey
IYPXDXFMIFEISF-UHFFFAOYSA-N- Molecular formula
- C6H10O3
- Average molar mass
- 130.14 g/mol
- Monoisotopic mass
- 130.06299418
Names & identifiers
- Preferred name
- 5-Oxa-2-heptyne-1,7-diol
- IUPAC
- 4-(2-hydroxyethoxy)but-2-yn-1-ol
Names & synonyms
5-Oxa-2-heptyne-1,7-diol1606-84-44-(2-hydroxyethoxy)but-2-yn-1-olEINECS 216-525-54-(2-Hydroxyethoxy)-2-butyn-1-ol4TE47PM8QVSCHEMBL8516939DTXSID30166946IYPXDXFMIFEISF-UHFFFAOYSA-N2-Butyn-1-ol, 4-(2-hydroxyethoxy)-NS00025234
Database identifiers
- CAS
1606-84-4- PubChem CID
- 74154
- DTXSID
DTXSID30166946- UNII
- 4TE47PM8QV
- EC Number
- 216-525-5
- Nikkaji
- J195.225K
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 108
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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