(5S,6S,9R)-6,8-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one

C47H58O6Si2 — CID 11714755

IUPAC(5S,6S,9R)-6,8-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
SMILESCOCOC1=CC(=O)O[C@]12C[C@@H](C)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C[C@@]2(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C47H58O6Si2/c1-36-31-47(42(50-35-49-9)30-43(48)53-47)46(8,34-52-55(45(5,6)7,40-26-18-12-19-27-40)41-28-20-13-21-29-41)32-37(36)33-51-54(44(2,3)4,38-22-14-10-15-23-38)39-24-16-11-17-25-39/h10-30,32,36H,31,33-35H2,1-9H3/t36-,46+,47-/m1/s1
InChIKeyDRQDGDKJOVEREW-YBTGPGHKSA-N
MW775.15 g/mol
LogP7.91
Rot. Bonds13

About (5S,6S,9R)-6,8-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one

(5S,6S,9R)-6,8-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one (PubChem CID 11714755) has the molecular formula C47H58O6Si2 and a molecular weight of 775.15 g/mol. Its IUPAC name is (5S,6S,9R)-6,8-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one.

Molecular Properties

Compound Name(5S,6S,9R)-6,8-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
PubChem CID11714755
Molecular FormulaC47H58O6Si2
Molecular Weight775.15 g/mol
Exact Mass774.38
IUPAC Name(5S,6S,9R)-6,8-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
SMILESCOCOC1=CC(=O)O[C@]12C[C@@H](C)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C[C@@]2(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C47H58O6Si2/c1-36-31-47(42(50-35-49-9)30-43(48)53-47)46(8,34-52-55(45(5,6)7,40-26-18-12-19-27-40)41-28-20-13-21-29-41)32-37(36)33-51-54(44(2,3)4,38-22-14-10-15-23-38)39-24-16-11-17-25-39/h10-30,32,36H,31,33-35H2,1-9H3/t36-,46+,47-/m1/s1
InChIKeyDRQDGDKJOVEREW-YBTGPGHKSA-N
XLogP7.91
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.15
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5S,6S,9R)-6,8-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-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 (5S,6S,9R)-6,8-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
The IUPAC name of (5S,6S,9R)-6,8-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one (CID 11714755) is (5S,6S,9R)-6,8-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one.
What is the SMILES notation for (5S,6S,9R)-6,8-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
The canonical SMILES for (5S,6S,9R)-6,8-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one is COCOC1=CC(=O)O[C@]12C[C@@H](C)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C[C@@]2(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (5S,6S,9R)-6,8-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
The InChIKey is DRQDGDKJOVEREW-YBTGPGHKSA-N. The full InChI is InChI=1S/C47H58O6Si2/c1-36-31-47(42(50-35-49-9)30-43(48)53-47)46(8,34-52-55(45(5,6)7,40-26-18-12-19-27-40)41-28-20-13-21-29-41)32-37(36)33-51-54(44(2,3)4,38-22-14-10-15-23-38)39-24-16-11-17-25-39/h10-30,32,36H,31,33-35H2,1-9H3/t36-,46+,47-/m1/s1.
What are the key properties of (5S,6S,9R)-6,8-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
(5S,6S,9R)-6,8-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one has a molecular weight of 775.15 g/mol, XLogP of 7.91, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S,9R)-6,8-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one is sourced from PubChem (CID 11714755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).