(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-one

C26H32O5Si — CID 161197599

IUPAC(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-one
SMILESCC1=C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O[C@@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C26H32O5Si/c1-18-22(21-17-28-26(5,6)30-21)29-24(27)23(18)31-32(25(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21-22H,17H2,1-6H3/t21-,22-/m0/s1
InChIKeyFAJBCYJKADURTR-VXKWHMMOSA-N
MW452.62 g/mol
LogP3.91
Rot. Bonds5

About (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-one

(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-one (PubChem CID 161197599) has the molecular formula C26H32O5Si and a molecular weight of 452.62 g/mol. Its IUPAC name is (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-one
PubChem CID161197599
Molecular FormulaC26H32O5Si
Molecular Weight452.62 g/mol
Exact Mass452.20
IUPAC Name(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-one
SMILESCC1=C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O[C@@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C26H32O5Si/c1-18-22(21-17-28-26(5,6)30-21)29-24(27)23(18)31-32(25(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21-22H,17H2,1-6H3/t21-,22-/m0/s1
InChIKeyFAJBCYJKADURTR-VXKWHMMOSA-N
XLogP3.91
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-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

(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one
CID 12039244
N-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[tert-butyl(diphenyl)silyl]oxymethanimine oxide
CID 177497464
2-[(2S,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl]ethanol
CID 12039247
(3R,3aR,6aR)-2-[(3aS,4R,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 102315526
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-4-methyl-2H-furan-5-one
CID 118358907
[(2S)-3-(4-chlorophenyl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-2H-furan-4-yl] 2,2-dimethylpropanoate
CID 118268448
ethyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 11978887
6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one
CID 15327231
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol
CID 132850699
[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-5-oxo-2H-furan-4-yl] 4-methylbenzenesulfonate
CID 118268443
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one
CID 54676508
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
CID 19358695

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-one?
The IUPAC name of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-one (CID 161197599) is (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-one.
What is the SMILES notation for (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-one?
The canonical SMILES for (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-one is CC1=C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O[C@@H]1[C@@H]1COC(C)(C)O1.
What is the InChIKey of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-one?
The InChIKey is FAJBCYJKADURTR-VXKWHMMOSA-N. The full InChI is InChI=1S/C26H32O5Si/c1-18-22(21-17-28-26(5,6)30-21)29-24(27)23(18)31-32(25(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21-22H,17H2,1-6H3/t21-,22-/m0/s1.
What are the key properties of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-one?
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-one has a molecular weight of 452.62 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-one is sourced from PubChem (CID 161197599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).