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

C14H18O5 — CID 11807606

IUPACmethyl (1'R,2'R,6'S,7'R)-8'-oxospiro[1,3-dioxolane-2,5'-tricyclo[5.3.0.02,6]decane]-1'-carboxylate
SMILESCOC(=O)[C@@]12CCC(=O)[C@@H]1[C@@H]1[C@H]2CCC12OCCO2
InChIInChI=1S/C14H18O5/c1-17-12(16)13-4-3-9(15)11(13)10-8(13)2-5-14(10)18-6-7-19-14/h8,10-11H,2-7H2,1H3/t8-,10+,11-,13-/m1/s1
InChIKeyRTTNVCIYLVHDQM-IHXVIFPJSA-N
MW266.29 g/mol
LogP0.91
Rot. Bonds1

About 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

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 (PubChem CID 11807606) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl (1'R,2'R,6'S,7'R)-8'-oxospiro[1,3-dioxolane-2,5'-tricyclo[5.3.0.02,6]decane]-1'-carboxylate
PubChem CID11807606
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namemethyl (1'R,2'R,6'S,7'R)-8'-oxospiro[1,3-dioxolane-2,5'-tricyclo[5.3.0.02,6]decane]-1'-carboxylate
SMILESCOC(=O)[C@@]12CCC(=O)[C@@H]1[C@@H]1[C@H]2CCC12OCCO2
InChIInChI=1S/C14H18O5/c1-17-12(16)13-4-3-9(15)11(13)10-8(13)2-5-14(10)18-6-7-19-14/h8,10-11H,2-7H2,1H3/t8-,10+,11-,13-/m1/s1
InChIKeyRTTNVCIYLVHDQM-IHXVIFPJSA-N
XLogP0.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

Rjzvafmwwhxnjr-ywahftaisa-
CID 14378365
Rjzvafmwwhxnjr-nwbjouoxsa-
CID 14378366
ethyl 5'-oxospiro[1,3-dioxolane-2,2'-3,4,6,6a-tetrahydro-1H-pentalene]-3'a-carboxylate
CID 70385117
(1'S,2'R,5'S,6'S,7'R)-5',7'-dimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]decane]-3'-one
CID 10752296
(1'S,2'R,6'S,7'R)-6'-methylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]decane]-3'-one
CID 14378385
[(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
[(1'R,2'S,3'R,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 21636272
[(1'R,2'S,3'R,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 21636273
ethyl (3aR,5R,8aR)-8-oxospiro[1,2,3a,4,5,6,7,8a-octahydroazulene-3,2'-1,3-dioxolane]-5-carboxylate
CID 71682997

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)[C@@]12CCC(=O)[C@@H]1[C@@H]1[C@H]2CCC12OCCO2.
What is the InChIKey of 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?
The InChIKey is RTTNVCIYLVHDQM-IHXVIFPJSA-N. The full InChI is InChI=1S/C14H18O5/c1-17-12(16)13-4-3-9(15)11(13)10-8(13)2-5-14(10)18-6-7-19-14/h8,10-11H,2-7H2,1H3/t8-,10+,11-,13-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 266.29 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11807606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).