(3R,4S,6R,7R,9R,11E,13S,14R)-4-[tert-butyl(dimethyl)silyl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,7,9,13-tetramethyl-6-triethylsilyloxy-1-oxacyclotetradec-11-ene-2,10-dione

C32H62O7Si2 — CID 135043679

About (3R,4S,6R,7R,9R,11E,13S,14R)-4-[tert-butyl(dimethyl)silyl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,7,9,13-tetramethyl-6-triethylsilyloxy-1-oxacyclotetradec-11-ene-2,10-dione

(3R,4S,6R,7R,9R,11E,13S,14R)-4-[tert-butyl(dimethyl)silyl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,7,9,13-tetramethyl-6-triethylsilyloxy-1-oxacyclotetradec-11-ene-2,10-dione (PubChem CID 135043679) has the molecular formula C32H62O7Si2 and a molecular weight of 615.01 g/mol. Its IUPAC name is (3R,4S,6R,7R,9R,11E,13S,14R)-4-[tert-butyl(dimethyl)silyl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,7,9,13-tetramethyl-6-triethylsilyloxy-1-oxacyclotetradec-11-ene-2,10-dione.

Molecular Properties

• Compound Name: (3R,4S,6R,7R,9R,11E,13S,14R)-4-[tert-butyl(dimethyl)silyl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,7,9,13-tetramethyl-6-triethylsilyloxy-1-oxacyclotetradec-11-ene-2,10-dione
• PubChem CID: 135043679
• Molecular Formula: C32H62O7Si2
• Molecular Weight: 615.01 g/mol
• Exact Mass: 614.40
• IUPAC Name: (3R,4S,6R,7R,9R,11E,13S,14R)-4-[tert-butyl(dimethyl)silyl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,7,9,13-tetramethyl-6-triethylsilyloxy-1-oxacyclotetradec-11-ene-2,10-dione
• SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](CC)(CC)CC)[C@](C)(OC)C[C@@H](C)C(=O)/C=C/[C@]1(C)O
• InChI: InChI=1S/C32H62O7Si2/c1-15-27-31(10,35)20-19-25(33)23(5)22-32(11,36-12)28(39-41(16-2,17-3)18-4)21-26(24(6)29(34)37-27)38-40(13,14)30(7,8)9/h19-20,23-24,26-28,35H,15-18,21-22H2,1-14H3/b20-19+/t23-,24-,26+,27-,28-,31+,32-/m1/s1
• InChIKey: ZSQOZAFCUNLHRB-OTUDGLMJSA-N
• XLogP: 7.44
• TPSA: 91.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.01
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6R,7R,9R,11E,13S,14R)-4-[tert-butyl(dimethyl)silyl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,7,9,13-tetramethyl-6-triethylsilyloxy-1-oxacyclotetradec-11-ene-2,10-dione?

The IUPAC name of (3R,4S,6R,7R,9R,11E,13S,14R)-4-[tert-butyl(dimethyl)silyl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,7,9,13-tetramethyl-6-triethylsilyloxy-1-oxacyclotetradec-11-ene-2,10-dione (CID 135043679) is (3R,4S,6R,7R,9R,11E,13S,14R)-4-[tert-butyl(dimethyl)silyl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,7,9,13-tetramethyl-6-triethylsilyloxy-1-oxacyclotetradec-11-ene-2,10-dione.

What is the SMILES notation for (3R,4S,6R,7R,9R,11E,13S,14R)-4-[tert-butyl(dimethyl)silyl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,7,9,13-tetramethyl-6-triethylsilyloxy-1-oxacyclotetradec-11-ene-2,10-dione?

The canonical SMILES for (3R,4S,6R,7R,9R,11E,13S,14R)-4-[tert-butyl(dimethyl)silyl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,7,9,13-tetramethyl-6-triethylsilyloxy-1-oxacyclotetradec-11-ene-2,10-dione is CC[C@H]1OC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](CC)(CC)CC)[C@](C)(OC)C[C@@H](C)C(=O)/C=C/[C@]1(C)O.

What is the InChIKey of (3R,4S,6R,7R,9R,11E,13S,14R)-4-[tert-butyl(dimethyl)silyl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,7,9,13-tetramethyl-6-triethylsilyloxy-1-oxacyclotetradec-11-ene-2,10-dione?

The InChIKey is ZSQOZAFCUNLHRB-OTUDGLMJSA-N. The full InChI is InChI=1S/C32H62O7Si2/c1-15-27-31(10,35)20-19-25(33)23(5)22-32(11,36-12)28(39-41(16-2,17-3)18-4)21-26(24(6)29(34)37-27)38-40(13,14)30(7,8)9/h19-20,23-24,26-28,35H,15-18,21-22H2,1-14H3/b20-19+/t23-,24-,26+,27-,28-,31+,32-/m1/s1.

What are the key properties of (3R,4S,6R,7R,9R,11E,13S,14R)-4-[tert-butyl(dimethyl)silyl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,7,9,13-tetramethyl-6-triethylsilyloxy-1-oxacyclotetradec-11-ene-2,10-dione?

(3R,4S,6R,7R,9R,11E,13S,14R)-4-[tert-butyl(dimethyl)silyl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,7,9,13-tetramethyl-6-triethylsilyloxy-1-oxacyclotetradec-11-ene-2,10-dione has a molecular weight of 615.01 g/mol, XLogP of 7.44, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,6R,7R,9R,11E,13S,14R)-4-[tert-butyl(dimethyl)silyl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,7,9,13-tetramethyl-6-triethylsilyloxy-1-oxacyclotetradec-11-ene-2,10-dione is sourced from PubChem (CID 135043679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).