(7R,9S)-7,9-dimethyl-2-oxaspiro[4.5]decan-3-one

C11H18O2 — CID 141026930

IUPAC(7R,9S)-7,9-dimethyl-2-oxaspiro[4.5]decan-3-one
SMILESC[C@@H]1C[C@H](C)CC2(COC(=O)C2)C1
InChIInChI=1S/C11H18O2/c1-8-3-9(2)5-11(4-8)6-10(12)13-7-11/h8-9H,3-7H2,1-2H3/t8-,9+,11?
InChIKeyZLIWJFFVEDRBFA-SLHIUPAKSA-N
MW182.26 g/mol
LogP2.38
Rot. Bonds

About (7R,9S)-7,9-dimethyl-2-oxaspiro[4.5]decan-3-one

(7R,9S)-7,9-dimethyl-2-oxaspiro[4.5]decan-3-one (PubChem CID 141026930) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (7R,9S)-7,9-dimethyl-2-oxaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(7R,9S)-7,9-dimethyl-2-oxaspiro[4.5]decan-3-one
PubChem CID141026930
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(7R,9S)-7,9-dimethyl-2-oxaspiro[4.5]decan-3-one
SMILESC[C@@H]1C[C@H](C)CC2(COC(=O)C2)C1
InChIInChI=1S/C11H18O2/c1-8-3-9(2)5-11(4-8)6-10(12)13-7-11/h8-9H,3-7H2,1-2H3/t8-,9+,11?
InChIKeyZLIWJFFVEDRBFA-SLHIUPAKSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,9-dimethyl-2-azaspiro[4.5]decan-3-one
CID 66109117
(6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
CID 59229021
8,10-dimethyl-2-azaspiro[5.5]undecan-3-one
CID 102737207
(5S)-5-methyl-5-sulfanylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
CID 163654734
6,8,10-trimethyl-2-oxadispiro[2.0.54.33]dodecan-12-one
CID 73115481
(5S,6S)-6-tert-butyl-9-methyl-2-oxaspiro[4.4]non-8-en-3-one
CID 101227694
2-[4-(4-methylphenyl)piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167608649
4,4-diaminooxolan-2-one
CID 123435745
2-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 163475194
2-[(3R,4R)-4-(4-tert-butylphenyl)-3-methylpiperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167671336
2-[4-(4-methylsulfanylphenyl)piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167665472
6-propoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
CID 71150844

Frequently Asked Questions

What is the IUPAC name of (7R,9S)-7,9-dimethyl-2-oxaspiro[4.5]decan-3-one?
The IUPAC name of (7R,9S)-7,9-dimethyl-2-oxaspiro[4.5]decan-3-one (CID 141026930) is (7R,9S)-7,9-dimethyl-2-oxaspiro[4.5]decan-3-one.
What is the SMILES notation for (7R,9S)-7,9-dimethyl-2-oxaspiro[4.5]decan-3-one?
The canonical SMILES for (7R,9S)-7,9-dimethyl-2-oxaspiro[4.5]decan-3-one is C[C@@H]1C[C@H](C)CC2(COC(=O)C2)C1.
What is the InChIKey of (7R,9S)-7,9-dimethyl-2-oxaspiro[4.5]decan-3-one?
The InChIKey is ZLIWJFFVEDRBFA-SLHIUPAKSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-3-9(2)5-11(4-8)6-10(12)13-7-11/h8-9H,3-7H2,1-2H3/t8-,9+,11?.
What are the key properties of (7R,9S)-7,9-dimethyl-2-oxaspiro[4.5]decan-3-one?
(7R,9S)-7,9-dimethyl-2-oxaspiro[4.5]decan-3-one has a molecular weight of 182.26 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,9S)-7,9-dimethyl-2-oxaspiro[4.5]decan-3-one is sourced from PubChem (CID 141026930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).