(1R,3'R,4R,7S)-3'-methoxyspiro[3-oxabicyclo[5.1.0]octane-4,4'-oxane]

C12H20O3 — CID 125454620

IUPAC(1R,3'R,4R,7S)-3'-methoxyspiro[3-oxabicyclo[5.1.0]octane-4,4'-oxane]
SMILESCO[C@@H]1COCC[C@]12CC[C@H]1C[C@H]1CO2
InChIInChI=1S/C12H20O3/c1-13-11-8-14-5-4-12(11)3-2-9-6-10(9)7-15-12/h9-11H,2-8H2,1H3/t9-,10-,11+,12+/m0/s1
InChIKeySNWGQBJTAFKQLA-NNYUYHANSA-N
MW212.29 g/mol
LogP1.61
Rot. Bonds1

About (1R,3'R,4R,7S)-3'-methoxyspiro[3-oxabicyclo[5.1.0]octane-4,4'-oxane]

(1R,3'R,4R,7S)-3'-methoxyspiro[3-oxabicyclo[5.1.0]octane-4,4'-oxane] (PubChem CID 125454620) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (1R,3'R,4R,7S)-3'-methoxyspiro[3-oxabicyclo[5.1.0]octane-4,4'-oxane].

Molecular Properties

Compound Name(1R,3'R,4R,7S)-3'-methoxyspiro[3-oxabicyclo[5.1.0]octane-4,4'-oxane]
PubChem CID125454620
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(1R,3'R,4R,7S)-3'-methoxyspiro[3-oxabicyclo[5.1.0]octane-4,4'-oxane]
SMILESCO[C@@H]1COCC[C@]12CC[C@H]1C[C@H]1CO2
InChIInChI=1S/C12H20O3/c1-13-11-8-14-5-4-12(11)3-2-9-6-10(9)7-15-12/h9-11H,2-8H2,1H3/t9-,10-,11+,12+/m0/s1
InChIKeySNWGQBJTAFKQLA-NNYUYHANSA-N
XLogP1.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,3'R,4R,7S)-3'-methoxyspiro[3-oxabicyclo[5.1.0]octane-4,4'-oxane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3'R,4R,7S)-3'-methoxyspiro[3-oxabicyclo[5.1.0]octane-4,4'-oxane]?
The IUPAC name of (1R,3'R,4R,7S)-3'-methoxyspiro[3-oxabicyclo[5.1.0]octane-4,4'-oxane] (CID 125454620) is (1R,3'R,4R,7S)-3'-methoxyspiro[3-oxabicyclo[5.1.0]octane-4,4'-oxane].
What is the SMILES notation for (1R,3'R,4R,7S)-3'-methoxyspiro[3-oxabicyclo[5.1.0]octane-4,4'-oxane]?
The canonical SMILES for (1R,3'R,4R,7S)-3'-methoxyspiro[3-oxabicyclo[5.1.0]octane-4,4'-oxane] is CO[C@@H]1COCC[C@]12CC[C@H]1C[C@H]1CO2.
What is the InChIKey of (1R,3'R,4R,7S)-3'-methoxyspiro[3-oxabicyclo[5.1.0]octane-4,4'-oxane]?
The InChIKey is SNWGQBJTAFKQLA-NNYUYHANSA-N. The full InChI is InChI=1S/C12H20O3/c1-13-11-8-14-5-4-12(11)3-2-9-6-10(9)7-15-12/h9-11H,2-8H2,1H3/t9-,10-,11+,12+/m0/s1.
What are the key properties of (1R,3'R,4R,7S)-3'-methoxyspiro[3-oxabicyclo[5.1.0]octane-4,4'-oxane]?
(1R,3'R,4R,7S)-3'-methoxyspiro[3-oxabicyclo[5.1.0]octane-4,4'-oxane] has a molecular weight of 212.29 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3'R,4R,7S)-3'-methoxyspiro[3-oxabicyclo[5.1.0]octane-4,4'-oxane] is sourced from PubChem (CID 125454620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).