(5S,6R,8S,9R)-6,8,9-trimethyl-1,3,10-trioxaspiro[4.5]decan-2-one

C10H16O4 — CID 10241889

IUPAC(5S,6R,8S,9R)-6,8,9-trimethyl-1,3,10-trioxaspiro[4.5]decan-2-one
SMILESC[C@@H]1C[C@H](C)[C@@H](C)O[C@@]12COC(=O)O2
InChIInChI=1S/C10H16O4/c1-6-4-7(2)10(13-8(6)3)5-12-9(11)14-10/h6-8H,4-5H2,1-3H3/t6-,7+,8+,10+/m0/s1
InChIKeyJCNDEFXBVLETSX-OKJYPTKPSA-N
MW200.23 g/mol
LogP1.93
Rot. Bonds

About (5S,6R,8S,9R)-6,8,9-trimethyl-1,3,10-trioxaspiro[4.5]decan-2-one

(5S,6R,8S,9R)-6,8,9-trimethyl-1,3,10-trioxaspiro[4.5]decan-2-one (PubChem CID 10241889) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (5S,6R,8S,9R)-6,8,9-trimethyl-1,3,10-trioxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,6R,8S,9R)-6,8,9-trimethyl-1,3,10-trioxaspiro[4.5]decan-2-one
PubChem CID10241889
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(5S,6R,8S,9R)-6,8,9-trimethyl-1,3,10-trioxaspiro[4.5]decan-2-one
SMILESC[C@@H]1C[C@H](C)[C@@H](C)O[C@@]12COC(=O)O2
InChIInChI=1S/C10H16O4/c1-6-4-7(2)10(13-8(6)3)5-12-9(11)14-10/h6-8H,4-5H2,1-3H3/t6-,7+,8+,10+/m0/s1
InChIKeyJCNDEFXBVLETSX-OKJYPTKPSA-N
XLogP1.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S,6R,8S,9R)-6,8,9-trimethyl-1,3,10-trioxaspiro[4.5]decan-2-one?
The IUPAC name of (5S,6R,8S,9R)-6,8,9-trimethyl-1,3,10-trioxaspiro[4.5]decan-2-one (CID 10241889) is (5S,6R,8S,9R)-6,8,9-trimethyl-1,3,10-trioxaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,6R,8S,9R)-6,8,9-trimethyl-1,3,10-trioxaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,6R,8S,9R)-6,8,9-trimethyl-1,3,10-trioxaspiro[4.5]decan-2-one is C[C@@H]1C[C@H](C)[C@@H](C)O[C@@]12COC(=O)O2.
What is the InChIKey of (5S,6R,8S,9R)-6,8,9-trimethyl-1,3,10-trioxaspiro[4.5]decan-2-one?
The InChIKey is JCNDEFXBVLETSX-OKJYPTKPSA-N. The full InChI is InChI=1S/C10H16O4/c1-6-4-7(2)10(13-8(6)3)5-12-9(11)14-10/h6-8H,4-5H2,1-3H3/t6-,7+,8+,10+/m0/s1.
What are the key properties of (5S,6R,8S,9R)-6,8,9-trimethyl-1,3,10-trioxaspiro[4.5]decan-2-one?
(5S,6R,8S,9R)-6,8,9-trimethyl-1,3,10-trioxaspiro[4.5]decan-2-one has a molecular weight of 200.23 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,8S,9R)-6,8,9-trimethyl-1,3,10-trioxaspiro[4.5]decan-2-one is sourced from PubChem (CID 10241889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).