(1S)-1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione

C12H16O3 — CID 101112121

IUPAC(1S)-1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione
SMILESC[C@H]1CC12C(=O)OC1(CCCCC1)C2=O
InChIInChI=1S/C12H16O3/c1-8-7-12(8)9(13)11(15-10(12)14)5-3-2-4-6-11/h8H,2-7H2,1H3/t8-,12?/m0/s1
InChIKeyOEGLMLCRAUAAMF-KBPLZSHQSA-N
MW208.26 g/mol
LogP1.84
Rot. Bonds

About (1S)-1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione

(1S)-1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione (PubChem CID 101112121) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (1S)-1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione.

Molecular Properties

Compound Name(1S)-1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione
PubChem CID101112121
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(1S)-1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione
SMILESC[C@H]1CC12C(=O)OC1(CCCCC1)C2=O
InChIInChI=1S/C12H16O3/c1-8-7-12(8)9(13)11(15-10(12)14)5-3-2-4-6-11/h8H,2-7H2,1H3/t8-,12?/m0/s1
InChIKeyOEGLMLCRAUAAMF-KBPLZSHQSA-N
XLogP1.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-methyl-1-phenyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione
CID 137327049
2-methyl-1,3-dioxaspiro[4.4]nonan-4-one
CID 131851932
13-oxadispiro[4.0.66.25]tetradecan-14-one
CID 10465651
(6S,8S)-8-methyl-1-oxaspiro[5.5]undecan-11-one
CID 125454730
3-methyl-1-oxaspiro[4.4]nonan-2-one
CID 11804975
3,4-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one;ethane
CID 91260491
3,3-dimethyl-1-oxaspiro[3.6]decan-2-one
CID 14540537
1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane;1,1,2-trimethylcyclopropane
CID 158329208
6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 159322778
2,2-dimethylspiro[2.4]heptan-1-one
CID 130031044
(3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one
CID 143291862
4-imino-1-oxa-3-azaspiro[4.5]decan-2-one
CID 137346492

Frequently Asked Questions

What is the IUPAC name of (1S)-1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione?
The IUPAC name of (1S)-1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione (CID 101112121) is (1S)-1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione.
What is the SMILES notation for (1S)-1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione?
The canonical SMILES for (1S)-1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione is C[C@H]1CC12C(=O)OC1(CCCCC1)C2=O.
What is the InChIKey of (1S)-1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione?
The InChIKey is OEGLMLCRAUAAMF-KBPLZSHQSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-7-12(8)9(13)11(15-10(12)14)5-3-2-4-6-11/h8H,2-7H2,1H3/t8-,12?/m0/s1.
What are the key properties of (1S)-1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione?
(1S)-1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione has a molecular weight of 208.26 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione is sourced from PubChem (CID 101112121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).