(5R,7S,8R)-8-methoxy-5,7-dimethyl-4-oxaspiro[2.5]octane

C10H18O2 — CID 163415984

IUPAC(5R,7S,8R)-8-methoxy-5,7-dimethyl-4-oxaspiro[2.5]octane
SMILESCO[C@@H]1[C@@H](C)C[C@@H](C)OC12CC2
InChIInChI=1S/C10H18O2/c1-7-6-8(2)12-10(4-5-10)9(7)11-3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m0/s1
InChIKeyAEKZNYDKCILUAJ-DJLDLDEBSA-N
MW170.25 g/mol
LogP1.98
Rot. Bonds1

About (5R,7S,8R)-8-methoxy-5,7-dimethyl-4-oxaspiro[2.5]octane

(5R,7S,8R)-8-methoxy-5,7-dimethyl-4-oxaspiro[2.5]octane (PubChem CID 163415984) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (5R,7S,8R)-8-methoxy-5,7-dimethyl-4-oxaspiro[2.5]octane.

Molecular Properties

Compound Name(5R,7S,8R)-8-methoxy-5,7-dimethyl-4-oxaspiro[2.5]octane
PubChem CID163415984
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(5R,7S,8R)-8-methoxy-5,7-dimethyl-4-oxaspiro[2.5]octane
SMILESCO[C@@H]1[C@@H](C)C[C@@H](C)OC12CC2
InChIInChI=1S/C10H18O2/c1-7-6-8(2)12-10(4-5-10)9(7)11-3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m0/s1
InChIKeyAEKZNYDKCILUAJ-DJLDLDEBSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,7S,8R)-8-methoxy-5,7-dimethyl-4-oxaspiro[2.5]octane?
The IUPAC name of (5R,7S,8R)-8-methoxy-5,7-dimethyl-4-oxaspiro[2.5]octane (CID 163415984) is (5R,7S,8R)-8-methoxy-5,7-dimethyl-4-oxaspiro[2.5]octane.
What is the SMILES notation for (5R,7S,8R)-8-methoxy-5,7-dimethyl-4-oxaspiro[2.5]octane?
The canonical SMILES for (5R,7S,8R)-8-methoxy-5,7-dimethyl-4-oxaspiro[2.5]octane is CO[C@@H]1[C@@H](C)C[C@@H](C)OC12CC2.
What is the InChIKey of (5R,7S,8R)-8-methoxy-5,7-dimethyl-4-oxaspiro[2.5]octane?
The InChIKey is AEKZNYDKCILUAJ-DJLDLDEBSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-6-8(2)12-10(4-5-10)9(7)11-3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m0/s1.
What are the key properties of (5R,7S,8R)-8-methoxy-5,7-dimethyl-4-oxaspiro[2.5]octane?
(5R,7S,8R)-8-methoxy-5,7-dimethyl-4-oxaspiro[2.5]octane has a molecular weight of 170.25 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S,8R)-8-methoxy-5,7-dimethyl-4-oxaspiro[2.5]octane is sourced from PubChem (CID 163415984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).