(1S,5S,7R,9S,10S,11S,15S,17R,19S,20S)-10,20-dimethyl-5,15-bis[(1R,2R)-2-methylcyclopropyl]-9,19-bis[tri(propan-2-yl)silyloxy]-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docosane-3,13-dione

About (1S,5S,7R,9S,10S,11S,15S,17R,19S,20S)-10,20-dimethyl-5,15-bis[(1R,2R)-2-methylcyclopropyl]-9,19-bis[tri(propan-2-yl)silyloxy]-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docosane-3,13-dione

(1S,5S,7R,9S,10S,11S,15S,17R,19S,20S)-10,20-dimethyl-5,15-bis[(1R,2R)-2-methylcyclopropyl]-9,19-bis[tri(propan-2-yl)silyloxy]-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docosane-3,13-dione (PubChem CID 11847237) has the molecular formula C46H84O8Si2 and a molecular weight of 821.34 g/mol. Its IUPAC name is (1S,5S,7R,9S,10S,11S,15S,17R,19S,20S)-10,20-dimethyl-5,15-bis[(1R,2R)-2-methylcyclopropyl]-9,19-bis[tri(propan-2-yl)silyloxy]-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docosane-3,13-dione.

Molecular Properties

Compound Name	(1S,5S,7R,9S,10S,11S,15S,17R,19S,20S)-10,20-dimethyl-5,15-bis[(1R,2R)-2-methylcyclopropyl]-9,19-bis[tri(propan-2-yl)silyloxy]-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docosane-3,13-dione
PubChem CID	11847237
Molecular Formula	C46H84O8Si2
Molecular Weight	821.34 g/mol
Exact Mass	820.57
IUPAC Name	(1S,5S,7R,9S,10S,11S,15S,17R,19S,20S)-10,20-dimethyl-5,15-bis[(1R,2R)-2-methylcyclopropyl]-9,19-bis[tri(propan-2-yl)silyloxy]-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docosane-3,13-dione
SMILES	CC(C)[Si](O[C@H]1C[C@H]2C[C@@H]([C@@H]3C[C@H]3C)OC(=O)C[C@@H]3O[C@@H](C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]3C)C[C@@H]([C@@H]3C[C@H]3C)OC(=O)C[C@H](O2)[C@@H]1C)(C(C)C)C(C)C
InChI	InChI=1S/C46H84O8Si2/c1-25(2)55(26(3)4,27(5)6)53-41-19-35-21-43(37-17-31(37)13)51-46(48)24-40-34(16)42(54-56(28(7)8,29(9)10)30(11)12)20-36(50-40)22-44(38-18-32(38)14)52-45(47)23-39(49-35)33(41)15/h25-44H,17-24H2,1-16H3/t31-,32-,33+,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44+/m1/s1
InChIKey	IRZRIVNFHHPBCA-OWKWZXCOSA-N
XLogP	11.40
TPSA	89.52 Å²
H-Bond Donors
H-Bond Acceptors	8
Rotatable Bonds	12
Heavy Atoms	56
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.34
LogP ≤ 5	11.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1S,5S,7R,9S,10S,11S,15S,17R,19S,20S)-10,20-dimethyl-5,15-bis[(1R,2R)-2-methylcyclopropyl]-9,19-bis[tri(propan-2-yl)silyloxy]-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docosane-3,13-dione?

The IUPAC name of (1S,5S,7R,9S,10S,11S,15S,17R,19S,20S)-10,20-dimethyl-5,15-bis[(1R,2R)-2-methylcyclopropyl]-9,19-bis[tri(propan-2-yl)silyloxy]-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docosane-3,13-dione (CID 11847237) is (1S,5S,7R,9S,10S,11S,15S,17R,19S,20S)-10,20-dimethyl-5,15-bis[(1R,2R)-2-methylcyclopropyl]-9,19-bis[tri(propan-2-yl)silyloxy]-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docosane-3,13-dione.

What is the SMILES notation for (1S,5S,7R,9S,10S,11S,15S,17R,19S,20S)-10,20-dimethyl-5,15-bis[(1R,2R)-2-methylcyclopropyl]-9,19-bis[tri(propan-2-yl)silyloxy]-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docosane-3,13-dione?

The canonical SMILES for (1S,5S,7R,9S,10S,11S,15S,17R,19S,20S)-10,20-dimethyl-5,15-bis[(1R,2R)-2-methylcyclopropyl]-9,19-bis[tri(propan-2-yl)silyloxy]-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docosane-3,13-dione is CC(C)[Si](O[C@H]1C[C@H]2C[C@@H]([C@@H]3C[C@H]3C)OC(=O)C[C@@H]3O[C@@H](C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]3C)C[C@@H]([C@@H]3C[C@H]3C)OC(=O)C[C@H](O2)[C@@H]1C)(C(C)C)C(C)C.

What is the InChIKey of (1S,5S,7R,9S,10S,11S,15S,17R,19S,20S)-10,20-dimethyl-5,15-bis[(1R,2R)-2-methylcyclopropyl]-9,19-bis[tri(propan-2-yl)silyloxy]-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docosane-3,13-dione?

The InChIKey is IRZRIVNFHHPBCA-OWKWZXCOSA-N. The full InChI is InChI=1S/C46H84O8Si2/c1-25(2)55(26(3)4,27(5)6)53-41-19-35-21-43(37-17-31(37)13)51-46(48)24-40-34(16)42(54-56(28(7)8,29(9)10)30(11)12)20-36(50-40)22-44(38-18-32(38)14)52-45(47)23-39(49-35)33(41)15/h25-44H,17-24H2,1-16H3/t31-,32-,33+,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44+/m1/s1.

What are the key properties of (1S,5S,7R,9S,10S,11S,15S,17R,19S,20S)-10,20-dimethyl-5,15-bis[(1R,2R)-2-methylcyclopropyl]-9,19-bis[tri(propan-2-yl)silyloxy]-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docosane-3,13-dione?

(1S,5S,7R,9S,10S,11S,15S,17R,19S,20S)-10,20-dimethyl-5,15-bis[(1R,2R)-2-methylcyclopropyl]-9,19-bis[tri(propan-2-yl)silyloxy]-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docosane-3,13-dione has a molecular weight of 821.34 g/mol, XLogP of 11.40, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,5S,7R,9S,10S,11S,15S,17R,19S,20S)-10,20-dimethyl-5,15-bis[(1R,2R)-2-methylcyclopropyl]-9,19-bis[tri(propan-2-yl)silyloxy]-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docosane-3,13-dione is sourced from PubChem (CID 11847237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).