deuterio(fluoro)methane;4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol;4-methoxy-2,2,6-trimethyl-7-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane

C60H91FO15 — CID 158950524

About deuterio(fluoro)methane;4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol;4-methoxy-2,2,6-trimethyl-7-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane

deuterio(fluoro)methane;4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol;4-methoxy-2,2,6-trimethyl-7-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane (PubChem CID 158950524) has the molecular formula C60H91FO15 and a molecular weight of 1072.38 g/mol. Its IUPAC name is deuterio(fluoro)methane;4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol;4-methoxy-2,2,6-trimethyl-7-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane.

Molecular Properties

• Compound Name: deuterio(fluoro)methane;4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol;4-methoxy-2,2,6-trimethyl-7-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
• PubChem CID: 158950524
• Molecular Formula: C60H91FO15
• Molecular Weight: 1072.38 g/mol
• Exact Mass: 1071.64
• IUPAC Name: deuterio(fluoro)methane;4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol;4-methoxy-2,2,6-trimethyl-7-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
• SMILES: CC1OC(COCc2ccccc2)C(C)C(C)C1OCc1ccccc1.COC1OC(C)C(O)C2OC(C)(C)OC12.COC1OC(C)C(OC2OC(COCc3ccccc3)C(C)C(C)C2C)C2OC(C)(C)OC12.[2H]CF
• InChI: InChI=1S/C26H40O7.C23H30O3.C10H18O5.CH3F/c1-15-16(2)20(14-28-13-19-11-9-8-10-12-19)30-24(17(15)3)31-21-18(4)29-25(27-7)23-22(21)32-26(5,6)33-23;1-17-18(2)23(25-15-21-12-8-5-9-13-21)19(3)26-22(17)16-24-14-20-10-6-4-7-11-20;1-5-6(11)7-8(9(12-4)13-5)15-10(2,3)14-7;1-2/h8-12,15-18,20-25H,13-14H2,1-7H3;4-13,17-19,22-23H,14-16H2,1-3H3;5-9,11H,1-4H3;1H3/i;;;1D
• InChIKey: JLJCWTBYHJQFTL-PBJKEDEQSA-N
• XLogP: 9.83
• TPSA: 149.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1072.38
LogP ≤ 5	9.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol;4-methoxy-2,2,6-trimethyl-7-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane?

The IUPAC name of deuterio(fluoro)methane;4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol;4-methoxy-2,2,6-trimethyl-7-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane (CID 158950524) is deuterio(fluoro)methane;4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol;4-methoxy-2,2,6-trimethyl-7-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane.

What is the SMILES notation for deuterio(fluoro)methane;4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol;4-methoxy-2,2,6-trimethyl-7-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane?

The canonical SMILES for deuterio(fluoro)methane;4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol;4-methoxy-2,2,6-trimethyl-7-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane is CC1OC(COCc2ccccc2)C(C)C(C)C1OCc1ccccc1.COC1OC(C)C(O)C2OC(C)(C)OC12.COC1OC(C)C(OC2OC(COCc3ccccc3)C(C)C(C)C2C)C2OC(C)(C)OC12.[2H]CF.

What is the InChIKey of deuterio(fluoro)methane;4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol;4-methoxy-2,2,6-trimethyl-7-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane?

The InChIKey is JLJCWTBYHJQFTL-PBJKEDEQSA-N. The full InChI is InChI=1S/C26H40O7.C23H30O3.C10H18O5.CH3F/c1-15-16(2)20(14-28-13-19-11-9-8-10-12-19)30-24(17(15)3)31-21-18(4)29-25(27-7)23-22(21)32-26(5,6)33-23;1-17-18(2)23(25-15-21-12-8-5-9-13-21)19(3)26-22(17)16-24-14-20-10-6-4-7-11-20;1-5-6(11)7-8(9(12-4)13-5)15-10(2,3)14-7;1-2/h8-12,15-18,20-25H,13-14H2,1-7H3;4-13,17-19,22-23H,14-16H2,1-3H3;5-9,11H,1-4H3;1H3/i;;;1D.

What are the key properties of deuterio(fluoro)methane;4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol;4-methoxy-2,2,6-trimethyl-7-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane?

deuterio(fluoro)methane;4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol;4-methoxy-2,2,6-trimethyl-7-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane has a molecular weight of 1072.38 g/mol, XLogP of 9.83, 15 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for deuterio(fluoro)methane;4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol;4-methoxy-2,2,6-trimethyl-7-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 158950524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).