(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-4-[[(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane

C48H74O5 — CID 10747522

About (1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-4-[[(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane

(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-4-[[(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane (PubChem CID 10747522) has the molecular formula C48H74O5 and a molecular weight of 731.11 g/mol. Its IUPAC name is (1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-4-[[(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane.

Molecular Properties

• Compound Name: (1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-4-[[(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane
• PubChem CID: 10747522
• Molecular Formula: C48H74O5
• Molecular Weight: 731.11 g/mol
• Exact Mass: 730.55
• IUPAC Name: (1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-4-[[(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane
• SMILES: CC1(C)[C@@H]2CC[C@@]1(C)[C@H]1OC(C3[C@@H](O[C@H]4O[C@H]5[C@@H](C4C4C[C@H]6[C@H]7CC[C@@](C)([C@H]6O4)C7(C)C)[C@H]4CC[C@]5(C)C4(C)C)O[C@H]4[C@@H]3[C@H]3CC[C@]4(C)C3(C)C)C[C@@H]21
• InChI: InChI=1S/C48H74O5/c1-41(2)25-13-17-45(41,9)35-23(25)21-29(49-35)33-31-27-15-19-47(11,43(27,5)6)37(31)51-39(33)53-40-34(32-28-16-20-48(12,38(32)52-40)44(28,7)8)30-22-24-26-14-18-46(10,36(24)50-30)42(26,3)4/h23-40H,13-22H2,1-12H3/t23-,24-,25+,26+,27+,28+,29?,30?,31+,32+,33?,34?,35-,36-,37-,38-,39+,40+,45-,46-,47-,48-/m0/s1
• InChIKey: RBPGSKLMAJZYHW-FVSHRXRKSA-N
• XLogP: 10.29
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.11
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-4-[[(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane?

The IUPAC name of (1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-4-[[(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane (CID 10747522) is (1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-4-[[(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane.

What is the SMILES notation for (1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-4-[[(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane?

The canonical SMILES for (1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-4-[[(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane is CC1(C)[C@@H]2CC[C@@]1(C)[C@H]1OC(C3[C@@H](O[C@H]4O[C@H]5[C@@H](C4C4C[C@H]6[C@H]7CC[C@@](C)([C@H]6O4)C7(C)C)[C@H]4CC[C@]5(C)C4(C)C)O[C@H]4[C@@H]3[C@H]3CC[C@]4(C)C3(C)C)C[C@@H]21.

What is the InChIKey of (1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-4-[[(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane?

The InChIKey is RBPGSKLMAJZYHW-FVSHRXRKSA-N. The full InChI is InChI=1S/C48H74O5/c1-41(2)25-13-17-45(41,9)35-23(25)21-29(49-35)33-31-27-15-19-47(11,43(27,5)6)37(31)51-39(33)53-40-34(32-28-16-20-48(12,38(32)52-40)44(28,7)8)30-22-24-26-14-18-46(10,36(24)50-30)42(26,3)4/h23-40H,13-22H2,1-12H3/t23-,24-,25+,26+,27+,28+,29?,30?,31+,32+,33?,34?,35-,36-,37-,38-,39+,40+,45-,46-,47-,48-/m0/s1.

What are the key properties of (1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-4-[[(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane?

(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-4-[[(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane has a molecular weight of 731.11 g/mol, XLogP of 10.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-4-[[(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 10747522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).