(3aS,3'aS,7S,7'S,7aS,7'aS)-7,7'-dimethyl-5,5'-spirobi[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2,2'-dione

C15H20O6 — CID 10709038

IUPAC(3aS,3'aS,7S,7'S,7aS,7'aS)-7,7'-dimethyl-5,5'-spirobi[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2,2'-dione
SMILESC[C@H]1CC2(C[C@H](C)[C@@H]3OC(=O)C[C@@H]3O2)O[C@H]2CC(=O)O[C@H]21
InChIInChI=1S/C15H20O6/c1-7-5-15(20-9-3-11(16)18-13(7)9)6-8(2)14-10(21-15)4-12(17)19-14/h7-10,13-14H,3-6H2,1-2H3/t7-,8-,9-,10-,13-,14-,15?/m0/s1
InChIKeyXHRDRCITLWVCEX-RQFWQEHJSA-N
MW296.32 g/mol
LogP1.16
Rot. Bonds

About (3aS,3'aS,7S,7'S,7aS,7'aS)-7,7'-dimethyl-5,5'-spirobi[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2,2'-dione

(3aS,3'aS,7S,7'S,7aS,7'aS)-7,7'-dimethyl-5,5'-spirobi[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2,2'-dione (PubChem CID 10709038) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is (3aS,3'aS,7S,7'S,7aS,7'aS)-7,7'-dimethyl-5,5'-spirobi[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2,2'-dione.

Molecular Properties

Compound Name(3aS,3'aS,7S,7'S,7aS,7'aS)-7,7'-dimethyl-5,5'-spirobi[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2,2'-dione
PubChem CID10709038
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name(3aS,3'aS,7S,7'S,7aS,7'aS)-7,7'-dimethyl-5,5'-spirobi[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2,2'-dione
SMILESC[C@H]1CC2(C[C@H](C)[C@@H]3OC(=O)C[C@@H]3O2)O[C@H]2CC(=O)O[C@H]21
InChIInChI=1S/C15H20O6/c1-7-5-15(20-9-3-11(16)18-13(7)9)6-8(2)14-10(21-15)4-12(17)19-14/h7-10,13-14H,3-6H2,1-2H3/t7-,8-,9-,10-,13-,14-,15?/m0/s1
InChIKeyXHRDRCITLWVCEX-RQFWQEHJSA-N
XLogP1.16
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aS,3'aS,7S,7'S,7aS,7'aS)-7,7'-dimethyl-5,5'-spirobi[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2,2'-dione with MolForge

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Related Compounds

methyl (1'S,4'aS,7'aR)-1'-methyl-3'-oxospiro[1,3-dioxolane-2,6'-1,4,4a,5,7,7a-hexahydrocyclopenta[c]pyran]-4'-carboxylate
CID 14467430
(2R,5S)-spiro[3,6-dioxabicyclo[3.2.1]octane-2,2'-oxane]-7-one
CID 101498257
(2S,5S)-spiro[3,6-dioxabicyclo[3.2.1]octane-2,2'-oxane]-7-one
CID 101498258
[(1R,2S,2'R,3'R,4'S,5S,5'R)-3',4',5'-triacetyloxy-7-oxospiro[3,6-dioxabicyclo[3.2.1]octane-2,6'-oxane]-2'-yl]methyl acetate
CID 101498266
methyl (1R,6R,7R,8S)-2,12-dioxatricyclo[6.3.1.01,6]dodecane-7-carboxylate
CID 135021515
[(1S,2R,2'R,3'R,4'S,5'R)-3',4',5'-triacetyloxy-7-oxospiro[3,6-dioxabicyclo[3.2.1]octane-2,6'-oxane]-2'-yl]methyl acetate
CID 137303046
[(1S,2S,2'R,3'R,4'S,5'R)-3',4',5'-triacetyloxy-7-oxospiro[3,6-dioxabicyclo[3.2.1]octane-2,6'-oxane]-2'-yl]methyl acetate
CID 137303047
6-[Bis(ethoxycarbonyl)methyl]-6-deoxy-1,2;3,4-di-O-isopropylidene-D-galactopyranose
CID 139080252
(1S,1'S,2R,2'R,4S,4'S,5R,5'R)-4,4'-bis[2-methyl-3,6-dioxabicyclo[3.2.1] octan-7-one]
CID 139090213
(3aR,4R,7R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-7-(trifluoromethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one
CID 10688495
(3aR,4R,7S,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-7-(trifluoromethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one
CID 10688496
4-ethyl-6-(4-methyl-2,5-dioxooxolan-3-yl)-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyran-1,3-dione
CID 10076899

Frequently Asked Questions

What is the IUPAC name of (3aS,3'aS,7S,7'S,7aS,7'aS)-7,7'-dimethyl-5,5'-spirobi[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2,2'-dione?
The IUPAC name of (3aS,3'aS,7S,7'S,7aS,7'aS)-7,7'-dimethyl-5,5'-spirobi[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2,2'-dione (CID 10709038) is (3aS,3'aS,7S,7'S,7aS,7'aS)-7,7'-dimethyl-5,5'-spirobi[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2,2'-dione.
What is the SMILES notation for (3aS,3'aS,7S,7'S,7aS,7'aS)-7,7'-dimethyl-5,5'-spirobi[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2,2'-dione?
The canonical SMILES for (3aS,3'aS,7S,7'S,7aS,7'aS)-7,7'-dimethyl-5,5'-spirobi[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2,2'-dione is C[C@H]1CC2(C[C@H](C)[C@@H]3OC(=O)C[C@@H]3O2)O[C@H]2CC(=O)O[C@H]21.
What is the InChIKey of (3aS,3'aS,7S,7'S,7aS,7'aS)-7,7'-dimethyl-5,5'-spirobi[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2,2'-dione?
The InChIKey is XHRDRCITLWVCEX-RQFWQEHJSA-N. The full InChI is InChI=1S/C15H20O6/c1-7-5-15(20-9-3-11(16)18-13(7)9)6-8(2)14-10(21-15)4-12(17)19-14/h7-10,13-14H,3-6H2,1-2H3/t7-,8-,9-,10-,13-,14-,15?/m0/s1.
What are the key properties of (3aS,3'aS,7S,7'S,7aS,7'aS)-7,7'-dimethyl-5,5'-spirobi[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2,2'-dione?
(3aS,3'aS,7S,7'S,7aS,7'aS)-7,7'-dimethyl-5,5'-spirobi[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2,2'-dione has a molecular weight of 296.32 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3'aS,7S,7'S,7aS,7'aS)-7,7'-dimethyl-5,5'-spirobi[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2,2'-dione is sourced from PubChem (CID 10709038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).