(3Z,5E,7R,8S,9S,11Z,16R)-8-[diethyl(propan-2-yl)silyl]oxy-16-[(2S)-1-hydroxypropan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one

C31H54O6Si — CID 177403318

About (3Z,5E,7R,8S,9S,11Z,16R)-8-[diethyl(propan-2-yl)silyl]oxy-16-[(2S)-1-hydroxypropan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one

(3Z,5E,7R,8S,9S,11Z,16R)-8-[diethyl(propan-2-yl)silyl]oxy-16-[(2S)-1-hydroxypropan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one (PubChem CID 177403318) has the molecular formula C31H54O6Si and a molecular weight of 550.85 g/mol. Its IUPAC name is (3Z,5E,7R,8S,9S,11Z,16R)-8-[diethyl(propan-2-yl)silyl]oxy-16-[(2S)-1-hydroxypropan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one.

Molecular Properties

• Compound Name: (3Z,5E,7R,8S,9S,11Z,16R)-8-[diethyl(propan-2-yl)silyl]oxy-16-[(2S)-1-hydroxypropan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
• PubChem CID: 177403318
• Molecular Formula: C31H54O6Si
• Molecular Weight: 550.85 g/mol
• Exact Mass: 550.37
• IUPAC Name: (3Z,5E,7R,8S,9S,11Z,16R)-8-[diethyl(propan-2-yl)silyl]oxy-16-[(2S)-1-hydroxypropan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
• SMILES: CC[Si](CC)(O[C@@H]1[C@H](C)/C=C(C)/C=C(\OC)C(=O)O[C@H]([C@@H](C)CO)C(OC)C=C/C=C(/C)C[C@@H]1C)C(C)C
• InChI: InChI=1S/C31H54O6Si/c1-12-38(13-2,21(3)4)37-29-24(7)17-22(5)15-14-16-27(34-10)30(26(9)20-32)36-31(33)28(35-11)19-23(6)18-25(29)8/h14-16,18-19,21,24-27,29-30,32H,12-13,17,20H2,1-11H3/b16-14?,22-15-,23-18+,28-19-/t24-,25+,26-,27?,29-,30+/m0/s1
• InChIKey: GOAUWPRWZMPLDO-BNIKEOJBSA-N
• XLogP: 6.98
• TPSA: 74.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.85
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7R,8S,9S,11Z,16R)-8-[diethyl(propan-2-yl)silyl]oxy-16-[(2S)-1-hydroxypropan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one?

The IUPAC name of (3Z,5E,7R,8S,9S,11Z,16R)-8-[diethyl(propan-2-yl)silyl]oxy-16-[(2S)-1-hydroxypropan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one (CID 177403318) is (3Z,5E,7R,8S,9S,11Z,16R)-8-[diethyl(propan-2-yl)silyl]oxy-16-[(2S)-1-hydroxypropan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one.

What is the SMILES notation for (3Z,5E,7R,8S,9S,11Z,16R)-8-[diethyl(propan-2-yl)silyl]oxy-16-[(2S)-1-hydroxypropan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one?

The canonical SMILES for (3Z,5E,7R,8S,9S,11Z,16R)-8-[diethyl(propan-2-yl)silyl]oxy-16-[(2S)-1-hydroxypropan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one is CC[Si](CC)(O[C@@H]1[C@H](C)/C=C(C)/C=C(\OC)C(=O)O[C@H]([C@@H](C)CO)C(OC)C=C/C=C(/C)C[C@@H]1C)C(C)C.

What is the InChIKey of (3Z,5E,7R,8S,9S,11Z,16R)-8-[diethyl(propan-2-yl)silyl]oxy-16-[(2S)-1-hydroxypropan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one?

The InChIKey is GOAUWPRWZMPLDO-BNIKEOJBSA-N. The full InChI is InChI=1S/C31H54O6Si/c1-12-38(13-2,21(3)4)37-29-24(7)17-22(5)15-14-16-27(34-10)30(26(9)20-32)36-31(33)28(35-11)19-23(6)18-25(29)8/h14-16,18-19,21,24-27,29-30,32H,12-13,17,20H2,1-11H3/b16-14?,22-15-,23-18+,28-19-/t24-,25+,26-,27?,29-,30+/m0/s1.

What are the key properties of (3Z,5E,7R,8S,9S,11Z,16R)-8-[diethyl(propan-2-yl)silyl]oxy-16-[(2S)-1-hydroxypropan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one?

(3Z,5E,7R,8S,9S,11Z,16R)-8-[diethyl(propan-2-yl)silyl]oxy-16-[(2S)-1-hydroxypropan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one has a molecular weight of 550.85 g/mol, XLogP of 6.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z,5E,7R,8S,9S,11Z,16R)-8-[diethyl(propan-2-yl)silyl]oxy-16-[(2S)-1-hydroxypropan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one is sourced from PubChem (CID 177403318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).