[(1'R,2'S,3'S,6'R,7'S)-2'-methyl-5'-oxospiro[1,3-dioxolane-2,8'-4-oxatricyclo[5.3.0.02,6]decane]-3'-yl]methyl 2,2-dimethylpropanoate

C18H26O6 — CID 14378365

IUPAC[(1'R,2'S,3'S,6'R,7'S)-2'-methyl-5'-oxospiro[1,3-dioxolane-2,8'-4-oxatricyclo[5.3.0.02,6]decane]-3'-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@H]1OC(=O)[C@@H]2[C@@H]3[C@@H](CCC34OCCO4)[C@@]21C
InChIInChI=1S/C18H26O6/c1-16(2,3)15(20)21-9-11-17(4)10-5-6-18(22-7-8-23-18)12(10)13(17)14(19)24-11/h10-13H,5-9H2,1-4H3/t10-,11-,12+,13+,17-/m1/s1
InChIKeyRJZVAFMWWHXNJR-YWAHFTAISA-N
MW338.40 g/mol
LogP1.91
Rot. Bonds2

About [(1'R,2'S,3'S,6'R,7'S)-2'-methyl-5'-oxospiro[1,3-dioxolane-2,8'-4-oxatricyclo[5.3.0.02,6]decane]-3'-yl]methyl 2,2-dimethylpropanoate

[(1'R,2'S,3'S,6'R,7'S)-2'-methyl-5'-oxospiro[1,3-dioxolane-2,8'-4-oxatricyclo[5.3.0.02,6]decane]-3'-yl]methyl 2,2-dimethylpropanoate (PubChem CID 14378365) has the molecular formula C18H26O6 and a molecular weight of 338.40 g/mol. Its IUPAC name is [(1'R,2'S,3'S,6'R,7'S)-2'-methyl-5'-oxospiro[1,3-dioxolane-2,8'-4-oxatricyclo[5.3.0.02,6]decane]-3'-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(1'R,2'S,3'S,6'R,7'S)-2'-methyl-5'-oxospiro[1,3-dioxolane-2,8'-4-oxatricyclo[5.3.0.02,6]decane]-3'-yl]methyl 2,2-dimethylpropanoate
PubChem CID14378365
Molecular FormulaC18H26O6
Molecular Weight338.40 g/mol
Exact Mass338.17
IUPAC Name[(1'R,2'S,3'S,6'R,7'S)-2'-methyl-5'-oxospiro[1,3-dioxolane-2,8'-4-oxatricyclo[5.3.0.02,6]decane]-3'-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@H]1OC(=O)[C@@H]2[C@@H]3[C@@H](CCC34OCCO4)[C@@]21C
InChIInChI=1S/C18H26O6/c1-16(2,3)15(20)21-9-11-17(4)10-5-6-18(22-7-8-23-18)12(10)13(17)14(19)24-11/h10-13H,5-9H2,1-4H3/t10-,11-,12+,13+,17-/m1/s1
InChIKeyRJZVAFMWWHXNJR-YWAHFTAISA-N
XLogP1.91
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1'R,2'S,3'S,6'R,7'S)-2'-methyl-5'-oxospiro[1,3-dioxolane-2,8'-4-oxatricyclo[5.3.0.02,6]decane]-3'-yl]methyl 2,2-dimethylpropanoate with MolForge

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Related Compounds

methyl 2-[(1R,3aR,6aS)-1-methoxyspiro[1,2,3,5,6,6a-hexahydropentalene-4,2'-1,3-dioxolane]-3a-yl]acetate
CID 10061674
Rjzvafmwwhxnjr-nwbjouoxsa-
CID 14378366
Vgorilvmnkhjnj-ijijzpepsa-
CID 44631402
Baggmvbfpbinff-nserbspgsa-
CID 44631513
Baggmvbfpbinff-nlgvmygesa-
CID 44631522
[(1S,2R,6S,7R,8S)-1-methyl-4,10-dioxo-3,5,9-trioxatricyclo[5.3.0.02,6]decan-8-yl]methyl 2,2-dimethylpropanoate
CID 11087810
methyl (1'R,2'R,6'S,7'R)-8'-oxospiro[1,3-dioxolane-2,5'-tricyclo[5.3.0.02,6]decane]-1'-carboxylate
CID 11807606
[(1R,2S,3R,6R,7S)-2-methyl-5-oxo-4-oxatricyclo[5.3.0.02,6]decan-3-yl]methyl 2-methylpropanoate
CID 14378354
[(1R,2S,3R,6R,7S)-2-methyl-5-oxo-4-oxatricyclo[5.3.0.02,6]decan-3-yl]methyl 2,2-dimethylpropanoate
CID 14378357
[(1R,2S,3S,6R,7S)-2-methyl-5-oxo-4-oxatricyclo[5.3.0.02,6]decan-3-yl]methyl 2-methylpropanoate
CID 21636267
[(1R,2S,3S,6R,7S)-2-methyl-5-oxo-4-oxatricyclo[5.3.0.02,6]decan-3-yl]methyl 2,2-dimethylpropanoate
CID 21636268
[(1'R,2'S,3'S,6'R,7'S)-2'-methyl-5'-oxospiro[1,3-dioxolane-2,10'-4-oxatricyclo[5.3.0.02,6]decane]-3'-yl]methyl 2,2-dimethylpropanoate
CID 21636271

Frequently Asked Questions

What is the IUPAC name of [(1'R,2'S,3'S,6'R,7'S)-2'-methyl-5'-oxospiro[1,3-dioxolane-2,8'-4-oxatricyclo[5.3.0.02,6]decane]-3'-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(1'R,2'S,3'S,6'R,7'S)-2'-methyl-5'-oxospiro[1,3-dioxolane-2,8'-4-oxatricyclo[5.3.0.02,6]decane]-3'-yl]methyl 2,2-dimethylpropanoate (CID 14378365) is [(1'R,2'S,3'S,6'R,7'S)-2'-methyl-5'-oxospiro[1,3-dioxolane-2,8'-4-oxatricyclo[5.3.0.02,6]decane]-3'-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(1'R,2'S,3'S,6'R,7'S)-2'-methyl-5'-oxospiro[1,3-dioxolane-2,8'-4-oxatricyclo[5.3.0.02,6]decane]-3'-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(1'R,2'S,3'S,6'R,7'S)-2'-methyl-5'-oxospiro[1,3-dioxolane-2,8'-4-oxatricyclo[5.3.0.02,6]decane]-3'-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC[C@H]1OC(=O)[C@@H]2[C@@H]3[C@@H](CCC34OCCO4)[C@@]21C.
What is the InChIKey of [(1'R,2'S,3'S,6'R,7'S)-2'-methyl-5'-oxospiro[1,3-dioxolane-2,8'-4-oxatricyclo[5.3.0.02,6]decane]-3'-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is RJZVAFMWWHXNJR-YWAHFTAISA-N. The full InChI is InChI=1S/C18H26O6/c1-16(2,3)15(20)21-9-11-17(4)10-5-6-18(22-7-8-23-18)12(10)13(17)14(19)24-11/h10-13H,5-9H2,1-4H3/t10-,11-,12+,13+,17-/m1/s1.
What are the key properties of [(1'R,2'S,3'S,6'R,7'S)-2'-methyl-5'-oxospiro[1,3-dioxolane-2,8'-4-oxatricyclo[5.3.0.02,6]decane]-3'-yl]methyl 2,2-dimethylpropanoate?
[(1'R,2'S,3'S,6'R,7'S)-2'-methyl-5'-oxospiro[1,3-dioxolane-2,8'-4-oxatricyclo[5.3.0.02,6]decane]-3'-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 338.40 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1'R,2'S,3'S,6'R,7'S)-2'-methyl-5'-oxospiro[1,3-dioxolane-2,8'-4-oxatricyclo[5.3.0.02,6]decane]-3'-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 14378365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).