6-[(2S,3R,4S,5R,6R,7E,10R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-hydroxy-6-methoxy-3,5,8-trimethyldodeca-7,11-dienyl]-2,2-dimethyl-1,3-dioxin-4-one

C34H64O7Si2 — CID 11388114

IUPAC6-[(2S,3R,4S,5R,6R,7E,10R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-hydroxy-6-methoxy-3,5,8-trimethyldodeca-7,11-dienyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC=C[C@H](O)C/C(C)=C/[C@@H](OC)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H64O7Si2/c1-18-26(35)19-23(2)20-28(37-13)24(3)31(41-43(16,17)33(8,9)10)25(4)29(40-42(14,15)32(5,6)7)21-27-22-30(36)39-34(11,12)38-27/h18,20,22,24-26,28-29,31,35H,1,19,21H2,2-17H3/b23-20+/t24-,25-,26+,28-,29+,31+/m1/s1
InChIKeyFIIFECMQCOZFIC-NNTXWBNFSA-N
MW641.05 g/mol
LogP8.52
Rot. Bonds15

About 6-[(2S,3R,4S,5R,6R,7E,10R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-hydroxy-6-methoxy-3,5,8-trimethyldodeca-7,11-dienyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[(2S,3R,4S,5R,6R,7E,10R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-hydroxy-6-methoxy-3,5,8-trimethyldodeca-7,11-dienyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 11388114) has the molecular formula C34H64O7Si2 and a molecular weight of 641.05 g/mol. Its IUPAC name is 6-[(2S,3R,4S,5R,6R,7E,10R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-hydroxy-6-methoxy-3,5,8-trimethyldodeca-7,11-dienyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(2S,3R,4S,5R,6R,7E,10R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-hydroxy-6-methoxy-3,5,8-trimethyldodeca-7,11-dienyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID11388114
Molecular FormulaC34H64O7Si2
Molecular Weight641.05 g/mol
Exact Mass640.42
IUPAC Name6-[(2S,3R,4S,5R,6R,7E,10R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-hydroxy-6-methoxy-3,5,8-trimethyldodeca-7,11-dienyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC=C[C@H](O)C/C(C)=C/[C@@H](OC)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H64O7Si2/c1-18-26(35)19-23(2)20-28(37-13)24(3)31(41-43(16,17)33(8,9)10)25(4)29(40-42(14,15)32(5,6)7)21-27-22-30(36)39-34(11,12)38-27/h18,20,22,24-26,28-29,31,35H,1,19,21H2,2-17H3/b23-20+/t24-,25-,26+,28-,29+,31+/m1/s1
InChIKeyFIIFECMQCOZFIC-NNTXWBNFSA-N
XLogP8.52
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.05
LogP ≤ 58.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[(2S,3R,4S,5R,6R,7E,10R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-hydroxy-6-methoxy-3,5,8-trimethyldodeca-7,11-dienyl]-2,2-dimethyl-1,3-dioxin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,3R,4S,5R,6R,7E,10R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-hydroxy-6-methoxy-3,5,8-trimethyldodeca-7,11-dienyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(2S,3R,4S,5R,6R,7E,10R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-hydroxy-6-methoxy-3,5,8-trimethyldodeca-7,11-dienyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 11388114) is 6-[(2S,3R,4S,5R,6R,7E,10R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-hydroxy-6-methoxy-3,5,8-trimethyldodeca-7,11-dienyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(2S,3R,4S,5R,6R,7E,10R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-hydroxy-6-methoxy-3,5,8-trimethyldodeca-7,11-dienyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(2S,3R,4S,5R,6R,7E,10R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-hydroxy-6-methoxy-3,5,8-trimethyldodeca-7,11-dienyl]-2,2-dimethyl-1,3-dioxin-4-one is C=C[C@H](O)C/C(C)=C/[C@@H](OC)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[(2S,3R,4S,5R,6R,7E,10R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-hydroxy-6-methoxy-3,5,8-trimethyldodeca-7,11-dienyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is FIIFECMQCOZFIC-NNTXWBNFSA-N. The full InChI is InChI=1S/C34H64O7Si2/c1-18-26(35)19-23(2)20-28(37-13)24(3)31(41-43(16,17)33(8,9)10)25(4)29(40-42(14,15)32(5,6)7)21-27-22-30(36)39-34(11,12)38-27/h18,20,22,24-26,28-29,31,35H,1,19,21H2,2-17H3/b23-20+/t24-,25-,26+,28-,29+,31+/m1/s1.
What are the key properties of 6-[(2S,3R,4S,5R,6R,7E,10R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-hydroxy-6-methoxy-3,5,8-trimethyldodeca-7,11-dienyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(2S,3R,4S,5R,6R,7E,10R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-hydroxy-6-methoxy-3,5,8-trimethyldodeca-7,11-dienyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 641.05 g/mol, XLogP of 8.52, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,3R,4S,5R,6R,7E,10R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-hydroxy-6-methoxy-3,5,8-trimethyldodeca-7,11-dienyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 11388114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).