methyl 2-[(2R,3R,7S)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]acetate

C13H22O4 — CID 10562137

IUPACmethyl 2-[(2R,3R,7S)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]acetate
SMILESCOC(=O)C[C@H]1CCCC2(C1)O[C@H](C)[C@@H](C)O2
InChIInChI=1S/C13H22O4/c1-9-10(2)17-13(16-9)6-4-5-11(8-13)7-12(14)15-3/h9-11H,4-8H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyQPEKVBOEENXXCR-GMTAPVOTSA-N
MW242.31 g/mol
LogP2.26
Rot. Bonds2

About methyl 2-[(2R,3R,7S)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]acetate

methyl 2-[(2R,3R,7S)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]acetate (PubChem CID 10562137) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is methyl 2-[(2R,3R,7S)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3R,7S)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]acetate
PubChem CID10562137
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Namemethyl 2-[(2R,3R,7S)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]acetate
SMILESCOC(=O)C[C@H]1CCCC2(C1)O[C@H](C)[C@@H](C)O2
InChIInChI=1S/C13H22O4/c1-9-10(2)17-13(16-9)6-4-5-11(8-13)7-12(14)15-3/h9-11H,4-8H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyQPEKVBOEENXXCR-GMTAPVOTSA-N
XLogP2.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2R,3R,7S)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 1,4-dioxaspiro(4.5)decane-8-carboxylate
CID 10488810
Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 10845708
Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate
CID 3791580
methyl 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]acetate
CID 11506757
Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 372311
3-(1,4-Dioxaspiro[4.4]non-6-yl)propionic acid methyl ester
CID 10798675
Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 15700391
Methyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 20711792
dimethyl 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate
CID 67511086
Dimethyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanedioate
CID 67511089
2,2-Dimethylhexahydrofuro[3,4-f][1,3]benzodioxol-5(3aH)-one
CID 369600
Ethyl 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 67960160

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3R,7S)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]acetate?
The IUPAC name of methyl 2-[(2R,3R,7S)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]acetate (CID 10562137) is methyl 2-[(2R,3R,7S)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3R,7S)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3R,7S)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]acetate is COC(=O)C[C@H]1CCCC2(C1)O[C@H](C)[C@@H](C)O2.
What is the InChIKey of methyl 2-[(2R,3R,7S)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]acetate?
The InChIKey is QPEKVBOEENXXCR-GMTAPVOTSA-N. The full InChI is InChI=1S/C13H22O4/c1-9-10(2)17-13(16-9)6-4-5-11(8-13)7-12(14)15-3/h9-11H,4-8H2,1-3H3/t9-,10-,11-/m1/s1.
What are the key properties of methyl 2-[(2R,3R,7S)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]acetate?
methyl 2-[(2R,3R,7S)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]acetate has a molecular weight of 242.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3R,7S)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]acetate is sourced from PubChem (CID 10562137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).