(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one

C22H26O4Si — CID 134880347

IUPAC(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one
SMILESC=C[C@H]1OC(=O)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H26O4Si/c1-5-19-20(26-21(23)25-19)16-24-27(22(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h5-15,19-20H,1,16H2,2-4H3/t19-,20+/m1/s1
InChIKeyOUJXIBIIRWPBTM-UXHICEINSA-N
MW382.53 g/mol
LogP3.65
Rot. Bonds6

About (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one

(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one (PubChem CID 134880347) has the molecular formula C22H26O4Si and a molecular weight of 382.53 g/mol. Its IUPAC name is (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one
PubChem CID134880347
Molecular FormulaC22H26O4Si
Molecular Weight382.53 g/mol
Exact Mass382.16
IUPAC Name(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one
SMILESC=C[C@H]1OC(=O)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H26O4Si/c1-5-19-20(26-21(23)25-19)16-24-27(22(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h5-15,19-20H,1,16H2,2-4H3/t19-,20+/m1/s1
InChIKeyOUJXIBIIRWPBTM-UXHICEINSA-N
XLogP3.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-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

Related Compounds

(4S,5S)-4-[(Z)-but-1-enyl]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-one
CID 11811682
(4R)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-6-ethenyl-1,3-dioxan-2-one
CID 102588754
(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one
CID 15441175
(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15038414
(4R,5S,7S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-[(Z)-1-trimethylsilylprop-1-enyl]-1,3-dioxepan-2-one
CID 11814645
(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4-methyloxolan-2-one
CID 11731767
(1R,4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 11035946
(1S)-1-[(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 14824006
(1R)-1-[(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 10905059
tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane
CID 11327994
tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane
CID 156858499
tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane
CID 166437595

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one?
The IUPAC name of (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one (CID 134880347) is (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one.
What is the SMILES notation for (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one?
The canonical SMILES for (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one is C=C[C@H]1OC(=O)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one?
The InChIKey is OUJXIBIIRWPBTM-UXHICEINSA-N. The full InChI is InChI=1S/C22H26O4Si/c1-5-19-20(26-21(23)25-19)16-24-27(22(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h5-15,19-20H,1,16H2,2-4H3/t19-,20+/m1/s1.
What are the key properties of (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one?
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one has a molecular weight of 382.53 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one is sourced from PubChem (CID 134880347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).