1-Butoxy-6-(hydroxymethyl)-2-oxabicyclo(4.1.0)heptane-4,5,7-triol

HCID 154154

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Basic information

CAS: 209170-24-1
Standard SMILES: CCCCOC12OCC(O)C(O)C1(CO)C2O
InChIKey: SMNKEUVRHNWHAI-UHFFFAOYSA-N
Molecular formula: C11H20O6
Average molar mass: 248.27 g/mol
Monoisotopic mass: 248.12598835

Names & identifiers

Preferred name: 1-Butoxy-6-(hydroxymethyl)-2-oxabicyclo(4.1.0)heptane-4,5,7-triol
IUPAC: 1-butoxy-6-(hydroxymethyl)-2-oxabicyclo[4.1.0]heptane-4,5,7-triol

Names & synonyms

209170-24-11-Butoxy-6-(hydroxymethyl)-2-oxabicyclo(4.1.0)heptane-4,5,7-triol1-butoxy-6-(hydroxymethyl)-2-oxabicyclo[4.1.0]heptane-4,5,7-triolDTXSID909431792-Oxabicyclo(4.1.0)heptane-4,5,7-triol, 1-butoxy-6-(hydroxymethyl)-

Database identifiers

CAS: 209170-24-1
PubChem CID: 154154
DTXSID: DTXSID90943179

Properties

Computed structural properties

XLogP: -1.2
Topological polar surface area: 99.4 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 285

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