methyl 2-[(5R)-2-methyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate

C10H14O5 — CID 143329169

IUPACmethyl 2-[(5R)-2-methyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate
SMILESCOC(=O)C[C@H]1CC2OC(C)OC2C1=O
InChIInChI=1S/C10H14O5/c1-5-14-7-3-6(4-8(11)13-2)9(12)10(7)15-5/h5-7,10H,3-4H2,1-2H3/t5?,6-,7?,10?/m1/s1
InChIKeyIRAUAHYLCRITIS-HGOLDUELSA-N
MW214.22 g/mol
LogP0.27
Rot. Bonds2

About methyl 2-[(5R)-2-methyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate

methyl 2-[(5R)-2-methyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate (PubChem CID 143329169) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 2-[(5R)-2-methyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(5R)-2-methyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate
PubChem CID143329169
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namemethyl 2-[(5R)-2-methyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate
SMILESCOC(=O)C[C@H]1CC2OC(C)OC2C1=O
InChIInChI=1S/C10H14O5/c1-5-14-7-3-6(4-8(11)13-2)9(12)10(7)15-5/h5-7,10H,3-4H2,1-2H3/t5?,6-,7?,10?/m1/s1
InChIKeyIRAUAHYLCRITIS-HGOLDUELSA-N
XLogP0.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(5R)-2-methyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate with MolForge

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Related Compounds

methyl 2-[(3aR,5S,6aR)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate
CID 11492326
Methyl (3as,4r,5rs,6as)-4-(2-methoxy-2-oxo-ethyl)-2,2-dimethyl-6-oxotetrahydro-3ah-cyclo-penta[d][1,3]dioxole-5-carboxylate
CID 129749316
Methyl [(3as,4rs,6as)-2,2-dimethyl-6-oxotetra-hydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]acetate
CID 129749676
ethyl (4S)-2,2,3a-trimethyl-6-oxo-5,6a-dihydro-4H-cyclopenta[d][1,3]dioxole-4-carboxylate
CID 134856347
ethyl (3aR,4S,6aR)-2,2,3a-trimethyl-6-oxo-5,6a-dihydro-4H-cyclopenta[d][1,3]dioxole-4-carboxylate
CID 135009073
Hmrrqimjbqffsk-drtbcbbwsa-
CID 10353717
methyl 2-[(3aS,5R,6aS)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate
CID 57620277
(3aR,5S,6aR)-2,2-dimethyl-5-(2-oxopropyl)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 58114282
(3aS,5R,6aS)-2,2-dimethyl-5-(2-oxopropyl)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 58114289
(3aR,6aR)-2,2-dimethyl-5-propyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 89392943
(1S)-4,4-dimethyl-3,5,11-trioxatricyclo[6.3.0.02,6]undecane-9,10-dione
CID 89563608
ethane;methyl 2-[(3aR,5S,6aR)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate
CID 143329158

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5R)-2-methyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate?
The IUPAC name of methyl 2-[(5R)-2-methyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate (CID 143329169) is methyl 2-[(5R)-2-methyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate.
What is the SMILES notation for methyl 2-[(5R)-2-methyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate?
The canonical SMILES for methyl 2-[(5R)-2-methyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate is COC(=O)C[C@H]1CC2OC(C)OC2C1=O.
What is the InChIKey of methyl 2-[(5R)-2-methyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate?
The InChIKey is IRAUAHYLCRITIS-HGOLDUELSA-N. The full InChI is InChI=1S/C10H14O5/c1-5-14-7-3-6(4-8(11)13-2)9(12)10(7)15-5/h5-7,10H,3-4H2,1-2H3/t5?,6-,7?,10?/m1/s1.
What are the key properties of methyl 2-[(5R)-2-methyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate?
methyl 2-[(5R)-2-methyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate has a molecular weight of 214.22 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5R)-2-methyl-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate is sourced from PubChem (CID 143329169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).