Agn-PC-0jsiqf

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Basic information

CAS: 51138-08-0
Standard SMILES: CC(O)C=CC12OC1(C)CCCC2(C)C
InChIKey: LMCSDSFJYOWGRV-UHFFFAOYSA-N
Molecular formula: C13H22O2
Average molar mass: 210.31 g/mol
Monoisotopic mass: 210.16197994

Names & identifiers

Preferred name: Agn-PC-0jsiqf
IUPAC: 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-ol
English name: 4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-3-buten-2-ol
Molecular formula: C13H22O2
Molecular weight: 210.31

Names & synonyms

51138-08-0AGN-PC-0JSIQFDTXSID20336757DB-2625384-(2,2,6-Trimethyl -7-oxabicyclo[4.1.0]heptan-1-yl )-3-buten-2-ol4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-ol3-Buten-2-ol, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-3-buten-2-ol

Database identifiers

CAS: 51138-08-0
PubChem CID: 536101
DTXSID: DTXSID20336757

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 32.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 295

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Compound notes

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