(5R,7R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-ethyl-1,3-dioxepan-2-one

C40H50O5Si2 — CID 134915073

IUPAC(5R,7R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-ethyl-1,3-dioxepan-2-one
SMILESCC[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)O1
InChIInChI=1S/C40H50O5Si2/c1-8-31-29-36(45-47(40(5,6)7,34-25-17-11-18-26-34)35-27-19-12-20-28-35)37(44-38(41)43-31)30-42-46(39(2,3)4,32-21-13-9-14-22-32)33-23-15-10-16-24-33/h9-28,31,36-37H,8,29-30H2,1-7H3/t31-,36-,37?/m1/s1
InChIKeyMMBFPOKADHGMDC-DGAWOTTESA-N
MW667.01 g/mol
LogP7.21
Rot. Bonds10

About (5R,7R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-ethyl-1,3-dioxepan-2-one

(5R,7R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-ethyl-1,3-dioxepan-2-one (PubChem CID 134915073) has the molecular formula C40H50O5Si2 and a molecular weight of 667.01 g/mol. Its IUPAC name is (5R,7R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-ethyl-1,3-dioxepan-2-one.

Molecular Properties

Compound Name(5R,7R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-ethyl-1,3-dioxepan-2-one
PubChem CID134915073
Molecular FormulaC40H50O5Si2
Molecular Weight667.01 g/mol
Exact Mass666.32
IUPAC Name(5R,7R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-ethyl-1,3-dioxepan-2-one
SMILESCC[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)O1
InChIInChI=1S/C40H50O5Si2/c1-8-31-29-36(45-47(40(5,6)7,34-25-17-11-18-26-34)35-27-19-12-20-28-35)37(44-38(41)43-31)30-42-46(39(2,3)4,32-21-13-9-14-22-32)33-23-15-10-16-24-33/h9-28,31,36-37H,8,29-30H2,1-7H3/t31-,36-,37?/m1/s1
InChIKeyMMBFPOKADHGMDC-DGAWOTTESA-N
XLogP7.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.01
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,7R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-ethyl-1,3-dioxepan-2-one?
The IUPAC name of (5R,7R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-ethyl-1,3-dioxepan-2-one (CID 134915073) is (5R,7R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-ethyl-1,3-dioxepan-2-one.
What is the SMILES notation for (5R,7R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-ethyl-1,3-dioxepan-2-one?
The canonical SMILES for (5R,7R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-ethyl-1,3-dioxepan-2-one is CC[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)O1.
What is the InChIKey of (5R,7R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-ethyl-1,3-dioxepan-2-one?
The InChIKey is MMBFPOKADHGMDC-DGAWOTTESA-N. The full InChI is InChI=1S/C40H50O5Si2/c1-8-31-29-36(45-47(40(5,6)7,34-25-17-11-18-26-34)35-27-19-12-20-28-35)37(44-38(41)43-31)30-42-46(39(2,3)4,32-21-13-9-14-22-32)33-23-15-10-16-24-33/h9-28,31,36-37H,8,29-30H2,1-7H3/t31-,36-,37?/m1/s1.
What are the key properties of (5R,7R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-ethyl-1,3-dioxepan-2-one?
(5R,7R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-ethyl-1,3-dioxepan-2-one has a molecular weight of 667.01 g/mol, XLogP of 7.21, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-ethyl-1,3-dioxepan-2-one is sourced from PubChem (CID 134915073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).