methyl 4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate

C11H16O5 — CID 14293543

IUPACmethyl 4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESCOC(=O)C1CC2OC1C1OC(C)(C)OC21
InChIInChI=1S/C11H16O5/c1-11(2)15-8-6-4-5(10(12)13-3)7(14-6)9(8)16-11/h5-9H,4H2,1-3H3
InChIKeyOSSMCJRXKOLLSF-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.47
Rot. Bonds1

About methyl 4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate

methyl 4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate (PubChem CID 14293543) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is methyl 4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate.

Molecular Properties

Compound Namemethyl 4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate
PubChem CID14293543
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namemethyl 4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESCOC(=O)C1CC2OC1C1OC(C)(C)OC21
InChIInChI=1S/C11H16O5/c1-11(2)15-8-6-4-5(10(12)13-3)7(14-6)9(8)16-11/h5-9H,4H2,1-3H3
InChIKeyOSSMCJRXKOLLSF-UHFFFAOYSA-N
XLogP0.47
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Methyl (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.0~2,6~]dec-1-yl)methyl carbonate
CID 3600595
4,7-Epoxy-1,3-benzodioxole-5,6-dicarboxylic acid, hexahydro-, (3a-alpha,4-beta,5-beta,6-beta,7-beta,7a-alpha)-
CID 176107
Methyl 4,7-diacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5-carboxylate
CID 322791
Methyl 4,4-dimethyl-9-oxo-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate
CID 433715
Hexahydro-2,6-epoxyoxireno(f)isobenzofuran-3(1aH)-one
CID 20632532
methyl (6R,7S)-4-methoxy-4-methyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate;2,2,2-trifluoroacetic acid;1,1,1-trimethoxyethane
CID 157306686
(6R,7S)-4-methoxy-4-methyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid;2,2,2-trifluoroacetic acid;1,1,1-trimethoxyethane
CID 158079219
methyl (6R,7S)-4-ethoxy-4-methyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate;1,1,1-triethoxyethane;2,2,2-trifluoroacetic acid
CID 160249324
(5-methyl-2-propan-2-ylcyclohexyl) (1S,2S,6S,7S)-4,4-dimethyl-9-oxo-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate
CID 134872467
Methyl (1r,2r,6s,7r,8s,9s)-9-(2-methoxy-2-oxoethyl)-4,4-dimethyl-3,5,10-trioxatricyclo[5,2,1,02,6]decane-8-carboxylate
CID 139210719
Methyl (1r,2r,6s,7r,8r,9r)-9-(2-methoxy-2-oxoethyl)-4,4-dimethyl-3,5,10-trioxatricyclo[5,2,1,02,6]decane-8-carboxylate
CID 139210720
[(1R,2R,3R,6R,7S)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl] acetate
CID 10750455

Frequently Asked Questions

What is the IUPAC name of methyl 4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate?
The IUPAC name of methyl 4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate (CID 14293543) is methyl 4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate.
What is the SMILES notation for methyl 4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate?
The canonical SMILES for methyl 4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate is COC(=O)C1CC2OC1C1OC(C)(C)OC21.
What is the InChIKey of methyl 4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate?
The InChIKey is OSSMCJRXKOLLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-11(2)15-8-6-4-5(10(12)13-3)7(14-6)9(8)16-11/h5-9H,4H2,1-3H3.
What are the key properties of methyl 4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate?
methyl 4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate has a molecular weight of 228.24 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8-carboxylate is sourced from PubChem (CID 14293543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).