(3aR,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one

C25H30O4Si — CID 11281644

IUPAC(3aR,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC1(C)O[C@@H]2C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)=CC(=O)[C@@H]2O1
InChIInChI=1S/C25H30O4Si/c1-24(2,3)30(19-12-8-6-9-13-19,20-14-10-7-11-15-20)27-17-18-16-21(26)23-22(18)28-25(4,5)29-23/h6-16,22-23H,17H2,1-5H3/t22-,23+/m1/s1
InChIKeyMNHGEKZEDWXELW-PKTZIBPZSA-N
MW422.60 g/mol
LogP3.59
Rot. Bonds5

About (3aR,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one

(3aR,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one (PubChem CID 11281644) has the molecular formula C25H30O4Si and a molecular weight of 422.60 g/mol. Its IUPAC name is (3aR,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(3aR,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
PubChem CID11281644
Molecular FormulaC25H30O4Si
Molecular Weight422.60 g/mol
Exact Mass422.19
IUPAC Name(3aR,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC1(C)O[C@@H]2C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)=CC(=O)[C@@H]2O1
InChIInChI=1S/C25H30O4Si/c1-24(2,3)30(19-12-8-6-9-13-19,20-14-10-7-11-15-20)27-17-18-16-21(26)23-22(18)28-25(4,5)29-23/h6-16,22-23H,17H2,1-5H3/t22-,23+/m1/s1
InChIKeyMNHGEKZEDWXELW-PKTZIBPZSA-N
XLogP3.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3aR,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-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

Related Compounds

2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 11350058
(3AR,6R,6aR)-6-(((tert-butyldiphenylsilyl)oxy)methyl)-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one
CID 10862839
(4S,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 23635811
(6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 173665245
d-Ribonic acid, 5-O-[(1,1-dimethylethyl)diphenylsilyl]-2,3-O-(1-methylethylidene)-, gamma-lactone
CID 617893
(2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 71499967
(4R,5S)-5-[(E,4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)hex-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 72375966
(6S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5,6-tris(methoxymethoxy)cyclohex-2-en-1-one
CID 134831815
5-O-Tert-butyldiphenylsilyl-2,3-O-isopropylidene-D-lyxono-1,4-lactone
CID 135018663
(3aR,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2,2,3a-trimethyl-6aH-cyclopenta[d][1,3]dioxol-4-one
CID 53382247
(3aR,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2,2,6a-trimethylcyclopenta[d][1,3]dioxol-6-one
CID 101798589
(3aR,4S,7aR)-4-[tert-butyl(diphenyl)silyl]oxy-6-iodo-2,2-dimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-one
CID 11421446

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
The IUPAC name of (3aR,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one (CID 11281644) is (3aR,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one.
What is the SMILES notation for (3aR,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
The canonical SMILES for (3aR,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one is CC1(C)O[C@@H]2C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)=CC(=O)[C@@H]2O1.
What is the InChIKey of (3aR,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
The InChIKey is MNHGEKZEDWXELW-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H30O4Si/c1-24(2,3)30(19-12-8-6-9-13-19,20-14-10-7-11-15-20)27-17-18-16-21(26)23-22(18)28-25(4,5)29-23/h6-16,22-23H,17H2,1-5H3/t22-,23+/m1/s1.
What are the key properties of (3aR,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
(3aR,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one has a molecular weight of 422.60 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one is sourced from PubChem (CID 11281644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).