(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethyl-6-phenylmethoxyspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane];(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-ol;methane

C31H50O8 — CID 167544621

About (2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethyl-6-phenylmethoxyspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane];(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-ol;methane

(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethyl-6-phenylmethoxyspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane];(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-ol;methane (PubChem CID 167544621) has the molecular formula C31H50O8 and a molecular weight of 550.73 g/mol. Its IUPAC name is (2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethyl-6-phenylmethoxyspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane];(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-ol;methane.

Molecular Properties

• Compound Name: (2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethyl-6-phenylmethoxyspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane];(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-ol;methane
• PubChem CID: 167544621
• Molecular Formula: C31H50O8
• Molecular Weight: 550.73 g/mol
• Exact Mass: 550.35
• IUPAC Name: (2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethyl-6-phenylmethoxyspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane];(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-ol;methane
• SMILES: C.C.CC[C@@H]1C[C@]12O[C@@H]1OC(C)(C)O[C@H]1C2O.CC[C@@H]1C[C@]12O[C@@H]1OC(C)(C)O[C@H]1C2OCc1ccccc1
• InChI: InChI=1S/C18H24O4.C11H18O4.2CH4/c1-4-13-10-18(13)15(19-11-12-8-6-5-7-9-12)14-16(22-18)21-17(2,3)20-14;1-4-6-5-11(6)8(12)7-9(15-11)14-10(2,3)13-7;;/h5-9,13-16H,4,10-11H2,1-3H3;6-9,12H,4-5H2,1-3H3;2*1H4/t13-,14+,15?,16+,18+;6-,7+,8?,9+,11+;;/m11../s1
• InChIKey: BPYAILDIWRVQIW-IKDXWMNHSA-N
• XLogP: 5.54
• TPSA: 84.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.73
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethyl-6-phenylmethoxyspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane];(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-ol;methane?

The IUPAC name of (2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethyl-6-phenylmethoxyspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane];(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-ol;methane (CID 167544621) is (2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethyl-6-phenylmethoxyspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane];(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-ol;methane.

What is the SMILES notation for (2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethyl-6-phenylmethoxyspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane];(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-ol;methane?

The canonical SMILES for (2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethyl-6-phenylmethoxyspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane];(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-ol;methane is C.C.CC[C@@H]1C[C@]12O[C@@H]1OC(C)(C)O[C@H]1C2O.CC[C@@H]1C[C@]12O[C@@H]1OC(C)(C)O[C@H]1C2OCc1ccccc1.

What is the InChIKey of (2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethyl-6-phenylmethoxyspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane];(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-ol;methane?

The InChIKey is BPYAILDIWRVQIW-IKDXWMNHSA-N. The full InChI is InChI=1S/C18H24O4.C11H18O4.2CH4/c1-4-13-10-18(13)15(19-11-12-8-6-5-7-9-12)14-16(22-18)21-17(2,3)20-14;1-4-6-5-11(6)8(12)7-9(15-11)14-10(2,3)13-7;;/h5-9,13-16H,4,10-11H2,1-3H3;6-9,12H,4-5H2,1-3H3;2*1H4/t13-,14+,15?,16+,18+;6-,7+,8?,9+,11+;;/m11../s1.

What are the key properties of (2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethyl-6-phenylmethoxyspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane];(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-ol;methane?

(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethyl-6-phenylmethoxyspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane];(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-ol;methane has a molecular weight of 550.73 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethyl-6-phenylmethoxyspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane];(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-ol;methane is sourced from PubChem (CID 167544621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).