(5R,6R,7S,10R)-10-hydroxy-6,7-dimethyl-6-(2-oxopropyl)-1-oxaspiro[4.5]decan-2-one

C14H22O4 — CID 11357249

IUPAC(5R,6R,7S,10R)-10-hydroxy-6,7-dimethyl-6-(2-oxopropyl)-1-oxaspiro[4.5]decan-2-one
SMILESCC(=O)C[C@]1(C)[C@@H](C)CC[C@@H](O)[C@@]12CCC(=O)O2
InChIInChI=1S/C14H22O4/c1-9-4-5-11(16)14(7-6-12(17)18-14)13(9,3)8-10(2)15/h9,11,16H,4-8H2,1-3H3/t9-,11+,13+,14-/m0/s1
InChIKeyIAQWIMUGUMQBNL-FRJFDASCSA-N
MW254.33 g/mol
LogP1.84
Rot. Bonds2

About (5R,6R,7S,10R)-10-hydroxy-6,7-dimethyl-6-(2-oxopropyl)-1-oxaspiro[4.5]decan-2-one

(5R,6R,7S,10R)-10-hydroxy-6,7-dimethyl-6-(2-oxopropyl)-1-oxaspiro[4.5]decan-2-one (PubChem CID 11357249) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is (5R,6R,7S,10R)-10-hydroxy-6,7-dimethyl-6-(2-oxopropyl)-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R,6R,7S,10R)-10-hydroxy-6,7-dimethyl-6-(2-oxopropyl)-1-oxaspiro[4.5]decan-2-one
PubChem CID11357249
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name(5R,6R,7S,10R)-10-hydroxy-6,7-dimethyl-6-(2-oxopropyl)-1-oxaspiro[4.5]decan-2-one
SMILESCC(=O)C[C@]1(C)[C@@H](C)CC[C@@H](O)[C@@]12CCC(=O)O2
InChIInChI=1S/C14H22O4/c1-9-4-5-11(16)14(7-6-12(17)18-14)13(9,3)8-10(2)15/h9,11,16H,4-8H2,1-3H3/t9-,11+,13+,14-/m0/s1
InChIKeyIAQWIMUGUMQBNL-FRJFDASCSA-N
XLogP1.84
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,6R,7S,10R)-10-hydroxy-6,7-dimethyl-6-(2-oxopropyl)-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of (5R,6R,7S,10R)-10-hydroxy-6,7-dimethyl-6-(2-oxopropyl)-1-oxaspiro[4.5]decan-2-one (CID 11357249) is (5R,6R,7S,10R)-10-hydroxy-6,7-dimethyl-6-(2-oxopropyl)-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R,6R,7S,10R)-10-hydroxy-6,7-dimethyl-6-(2-oxopropyl)-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for (5R,6R,7S,10R)-10-hydroxy-6,7-dimethyl-6-(2-oxopropyl)-1-oxaspiro[4.5]decan-2-one is CC(=O)C[C@]1(C)[C@@H](C)CC[C@@H](O)[C@@]12CCC(=O)O2.
What is the InChIKey of (5R,6R,7S,10R)-10-hydroxy-6,7-dimethyl-6-(2-oxopropyl)-1-oxaspiro[4.5]decan-2-one?
The InChIKey is IAQWIMUGUMQBNL-FRJFDASCSA-N. The full InChI is InChI=1S/C14H22O4/c1-9-4-5-11(16)14(7-6-12(17)18-14)13(9,3)8-10(2)15/h9,11,16H,4-8H2,1-3H3/t9-,11+,13+,14-/m0/s1.
What are the key properties of (5R,6R,7S,10R)-10-hydroxy-6,7-dimethyl-6-(2-oxopropyl)-1-oxaspiro[4.5]decan-2-one?
(5R,6R,7S,10R)-10-hydroxy-6,7-dimethyl-6-(2-oxopropyl)-1-oxaspiro[4.5]decan-2-one has a molecular weight of 254.33 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7S,10R)-10-hydroxy-6,7-dimethyl-6-(2-oxopropyl)-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 11357249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).