6-[(2R,3R,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-4,6-dimethylheptan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one

C33H48O6Si — CID 140703209

IUPAC6-[(2R,3R,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-4,6-dimethylheptan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one
SMILESCO[C@](C)(C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)[C@@H](C)C1=C(C)C(=O)OC(C)(C)O1
InChIInChI=1S/C33H48O6Si/c1-23(21-33(9,36-10)29(34)24(2)28-25(3)30(35)39-32(7,8)38-28)22-37-40(31(4,5)6,26-17-13-11-14-18-26)27-19-15-12-16-20-27/h11-20,23-24,29,34H,21-22H2,1-10H3/t23-,24+,29-,33-/m1/s1
InChIKeyRMXSXVOXDXNJQH-MQHGREONSA-N
MW568.83 g/mol
LogP5.57
Rot. Bonds11

About 6-[(2R,3R,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-4,6-dimethylheptan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one

6-[(2R,3R,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-4,6-dimethylheptan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one (PubChem CID 140703209) has the molecular formula C33H48O6Si and a molecular weight of 568.83 g/mol. Its IUPAC name is 6-[(2R,3R,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-4,6-dimethylheptan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(2R,3R,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-4,6-dimethylheptan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one
PubChem CID140703209
Molecular FormulaC33H48O6Si
Molecular Weight568.83 g/mol
Exact Mass568.32
IUPAC Name6-[(2R,3R,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-4,6-dimethylheptan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one
SMILESCO[C@](C)(C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)[C@@H](C)C1=C(C)C(=O)OC(C)(C)O1
InChIInChI=1S/C33H48O6Si/c1-23(21-33(9,36-10)29(34)24(2)28-25(3)30(35)39-32(7,8)38-28)22-37-40(31(4,5)6,26-17-13-11-14-18-26)27-19-15-12-16-20-27/h11-20,23-24,29,34H,21-22H2,1-10H3/t23-,24+,29-,33-/m1/s1
InChIKeyRMXSXVOXDXNJQH-MQHGREONSA-N
XLogP5.57
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.83
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[(2R,3R,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-4,6-dimethylheptan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R,3R,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-4,6-dimethylheptan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(2R,3R,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-4,6-dimethylheptan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one (CID 140703209) is 6-[(2R,3R,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-4,6-dimethylheptan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(2R,3R,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-4,6-dimethylheptan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(2R,3R,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-4,6-dimethylheptan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one is CO[C@](C)(C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)[C@@H](C)C1=C(C)C(=O)OC(C)(C)O1.
What is the InChIKey of 6-[(2R,3R,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-4,6-dimethylheptan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one?
The InChIKey is RMXSXVOXDXNJQH-MQHGREONSA-N. The full InChI is InChI=1S/C33H48O6Si/c1-23(21-33(9,36-10)29(34)24(2)28-25(3)30(35)39-32(7,8)38-28)22-37-40(31(4,5)6,26-17-13-11-14-18-26)27-19-15-12-16-20-27/h11-20,23-24,29,34H,21-22H2,1-10H3/t23-,24+,29-,33-/m1/s1.
What are the key properties of 6-[(2R,3R,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-4,6-dimethylheptan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one?
6-[(2R,3R,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-4,6-dimethylheptan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one has a molecular weight of 568.83 g/mol, XLogP of 5.57, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,3R,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-4,6-dimethylheptan-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 140703209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).