(5S,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one

C11H18O2 — CID 10773779

IUPAC(5S,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one
SMILESC[C@@H]1C[C@H](C)O[C@@]2(CCCC2=O)C1
InChIInChI=1S/C11H18O2/c1-8-6-9(2)13-11(7-8)5-3-4-10(11)12/h8-9H,3-7H2,1-2H3/t8-,9+,11+/m1/s1
InChIKeySRWAOXABRCNPGS-YWVKMMECSA-N
MW182.26 g/mol
LogP2.31
Rot. Bonds

About (5S,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one

(5S,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one (PubChem CID 10773779) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (5S,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(5S,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one
PubChem CID10773779
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(5S,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one
SMILESC[C@@H]1C[C@H](C)O[C@@]2(CCCC2=O)C1
InChIInChI=1S/C11H18O2/c1-8-6-9(2)13-11(7-8)5-3-4-10(11)12/h8-9H,3-7H2,1-2H3/t8-,9+,11+/m1/s1
InChIKeySRWAOXABRCNPGS-YWVKMMECSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one?
The IUPAC name of (5S,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one (CID 10773779) is (5S,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one.
What is the SMILES notation for (5S,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one?
The canonical SMILES for (5S,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one is C[C@@H]1C[C@H](C)O[C@@]2(CCCC2=O)C1.
What is the InChIKey of (5S,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one?
The InChIKey is SRWAOXABRCNPGS-YWVKMMECSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-6-9(2)13-11(7-8)5-3-4-10(11)12/h8-9H,3-7H2,1-2H3/t8-,9+,11+/m1/s1.
What are the key properties of (5S,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one?
(5S,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one has a molecular weight of 182.26 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one is sourced from PubChem (CID 10773779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).