(1S,4R,7S)-2',2'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,3'-oxolane]

C12H20O2 — CID 125453529

IUPAC(1S,4R,7S)-2',2'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,3'-oxolane]
SMILESCC1(C)OCC[C@]12CC[C@H]1C[C@@H]1CO2
InChIInChI=1S/C12H20O2/c1-11(2)12(5-6-13-11)4-3-9-7-10(9)8-14-12/h9-10H,3-8H2,1-2H3/t9-,10+,12+/m0/s1
InChIKeyLOGSGUAJSGXUPC-HOSYDEDBSA-N
MW196.29 g/mol
LogP2.37
Rot. Bonds

About (1S,4R,7S)-2',2'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,3'-oxolane]

(1S,4R,7S)-2',2'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,3'-oxolane] (PubChem CID 125453529) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (1S,4R,7S)-2',2'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,3'-oxolane].

Molecular Properties

Compound Name(1S,4R,7S)-2',2'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,3'-oxolane]
PubChem CID125453529
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(1S,4R,7S)-2',2'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,3'-oxolane]
SMILESCC1(C)OCC[C@]12CC[C@H]1C[C@@H]1CO2
InChIInChI=1S/C12H20O2/c1-11(2)12(5-6-13-11)4-3-9-7-10(9)8-14-12/h9-10H,3-8H2,1-2H3/t9-,10+,12+/m0/s1
InChIKeyLOGSGUAJSGXUPC-HOSYDEDBSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,4R,7S)-2',2'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,3'-oxolane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,7S)-2',2'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,3'-oxolane]?
The IUPAC name of (1S,4R,7S)-2',2'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,3'-oxolane] (CID 125453529) is (1S,4R,7S)-2',2'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,3'-oxolane].
What is the SMILES notation for (1S,4R,7S)-2',2'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,3'-oxolane]?
The canonical SMILES for (1S,4R,7S)-2',2'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,3'-oxolane] is CC1(C)OCC[C@]12CC[C@H]1C[C@@H]1CO2.
What is the InChIKey of (1S,4R,7S)-2',2'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,3'-oxolane]?
The InChIKey is LOGSGUAJSGXUPC-HOSYDEDBSA-N. The full InChI is InChI=1S/C12H20O2/c1-11(2)12(5-6-13-11)4-3-9-7-10(9)8-14-12/h9-10H,3-8H2,1-2H3/t9-,10+,12+/m0/s1.
What are the key properties of (1S,4R,7S)-2',2'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,3'-oxolane]?
(1S,4R,7S)-2',2'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,3'-oxolane] has a molecular weight of 196.29 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,7S)-2',2'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,3'-oxolane] is sourced from PubChem (CID 125453529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).