(1S,2S,4S,5R,6S,7R)-5-(methoxymethoxy)-1,4-dimethylspiro[10-oxatricyclo[5.2.1.02,6]decane-9,1'-cyclopropane]-3,8-dione

C15H20O5 — CID 158103721

IUPAC(1S,2S,4S,5R,6S,7R)-5-(methoxymethoxy)-1,4-dimethylspiro[10-oxatricyclo[5.2.1.02,6]decane-9,1'-cyclopropane]-3,8-dione
SMILESCOCO[C@@H]1[C@H]2[C@H]3O[C@@](C)([C@H]2C(=O)[C@H]1C)C1(CC1)C3=O
InChIInChI=1S/C15H20O5/c1-7-10(16)9-8(11(7)19-6-18-3)12-13(17)15(4-5-15)14(9,2)20-12/h7-9,11-12H,4-6H2,1-3H3/t7-,8+,9-,11+,12-,14+/m1/s1
InChIKeyFPOQFRHRGQKFRN-VXMUHBDESA-N
MW280.32 g/mol
LogP0.95
Rot. Bonds3

About (1S,2S,4S,5R,6S,7R)-5-(methoxymethoxy)-1,4-dimethylspiro[10-oxatricyclo[5.2.1.02,6]decane-9,1'-cyclopropane]-3,8-dione

(1S,2S,4S,5R,6S,7R)-5-(methoxymethoxy)-1,4-dimethylspiro[10-oxatricyclo[5.2.1.02,6]decane-9,1'-cyclopropane]-3,8-dione (PubChem CID 158103721) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is (1S,2S,4S,5R,6S,7R)-5-(methoxymethoxy)-1,4-dimethylspiro[10-oxatricyclo[5.2.1.02,6]decane-9,1'-cyclopropane]-3,8-dione.

Molecular Properties

Compound Name(1S,2S,4S,5R,6S,7R)-5-(methoxymethoxy)-1,4-dimethylspiro[10-oxatricyclo[5.2.1.02,6]decane-9,1'-cyclopropane]-3,8-dione
PubChem CID158103721
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name(1S,2S,4S,5R,6S,7R)-5-(methoxymethoxy)-1,4-dimethylspiro[10-oxatricyclo[5.2.1.02,6]decane-9,1'-cyclopropane]-3,8-dione
SMILESCOCO[C@@H]1[C@H]2[C@H]3O[C@@](C)([C@H]2C(=O)[C@H]1C)C1(CC1)C3=O
InChIInChI=1S/C15H20O5/c1-7-10(16)9-8(11(7)19-6-18-3)12-13(17)15(4-5-15)14(9,2)20-12/h7-9,11-12H,4-6H2,1-3H3/t7-,8+,9-,11+,12-,14+/m1/s1
InChIKeyFPOQFRHRGQKFRN-VXMUHBDESA-N
XLogP0.95
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1S,2S,4S,5R,6S,7R)-5-(methoxymethoxy)-1,4-dimethylspiro[10-oxatricyclo[5.2.1.02,6]decane-9,1'-cyclopropane]-3,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S,5R,6S,7R)-5-(methoxymethoxy)-1,4-dimethylspiro[10-oxatricyclo[5.2.1.02,6]decane-9,1'-cyclopropane]-3,8-dione?
The IUPAC name of (1S,2S,4S,5R,6S,7R)-5-(methoxymethoxy)-1,4-dimethylspiro[10-oxatricyclo[5.2.1.02,6]decane-9,1'-cyclopropane]-3,8-dione (CID 158103721) is (1S,2S,4S,5R,6S,7R)-5-(methoxymethoxy)-1,4-dimethylspiro[10-oxatricyclo[5.2.1.02,6]decane-9,1'-cyclopropane]-3,8-dione.
What is the SMILES notation for (1S,2S,4S,5R,6S,7R)-5-(methoxymethoxy)-1,4-dimethylspiro[10-oxatricyclo[5.2.1.02,6]decane-9,1'-cyclopropane]-3,8-dione?
The canonical SMILES for (1S,2S,4S,5R,6S,7R)-5-(methoxymethoxy)-1,4-dimethylspiro[10-oxatricyclo[5.2.1.02,6]decane-9,1'-cyclopropane]-3,8-dione is COCO[C@@H]1[C@H]2[C@H]3O[C@@](C)([C@H]2C(=O)[C@H]1C)C1(CC1)C3=O.
What is the InChIKey of (1S,2S,4S,5R,6S,7R)-5-(methoxymethoxy)-1,4-dimethylspiro[10-oxatricyclo[5.2.1.02,6]decane-9,1'-cyclopropane]-3,8-dione?
The InChIKey is FPOQFRHRGQKFRN-VXMUHBDESA-N. The full InChI is InChI=1S/C15H20O5/c1-7-10(16)9-8(11(7)19-6-18-3)12-13(17)15(4-5-15)14(9,2)20-12/h7-9,11-12H,4-6H2,1-3H3/t7-,8+,9-,11+,12-,14+/m1/s1.
What are the key properties of (1S,2S,4S,5R,6S,7R)-5-(methoxymethoxy)-1,4-dimethylspiro[10-oxatricyclo[5.2.1.02,6]decane-9,1'-cyclopropane]-3,8-dione?
(1S,2S,4S,5R,6S,7R)-5-(methoxymethoxy)-1,4-dimethylspiro[10-oxatricyclo[5.2.1.02,6]decane-9,1'-cyclopropane]-3,8-dione has a molecular weight of 280.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S,5R,6S,7R)-5-(methoxymethoxy)-1,4-dimethylspiro[10-oxatricyclo[5.2.1.02,6]decane-9,1'-cyclopropane]-3,8-dione is sourced from PubChem (CID 158103721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).