(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one

C22H26Cl2O3Si — CID 11362619

IUPAC(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one
SMILESCC(C)(C)[Si](OC[C@]1(C(Cl)Cl)CCC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26Cl2O3Si/c1-21(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-16-22(20(23)24)15-14-19(25)27-22/h4-13,20H,14-16H2,1-3H3/t22-/m0/s1
InChIKeySSDDTDKVJHXYLD-QFIPXVFZSA-N
MW437.44 g/mol
LogP4.44
Rot. Bonds6

About (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one

(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one (PubChem CID 11362619) has the molecular formula C22H26Cl2O3Si and a molecular weight of 437.44 g/mol. Its IUPAC name is (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one
PubChem CID11362619
Molecular FormulaC22H26Cl2O3Si
Molecular Weight437.44 g/mol
Exact Mass436.10
IUPAC Name(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one
SMILESCC(C)(C)[Si](OC[C@]1(C(Cl)Cl)CCC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26Cl2O3Si/c1-21(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-16-22(20(23)24)15-14-19(25)27-22/h4-13,20H,14-16H2,1-3H3/t22-/m0/s1
InChIKeySSDDTDKVJHXYLD-QFIPXVFZSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 11014406
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde
CID 58018780
(4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one
CID 23651169
1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidin-2-one
CID 11733221
tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
CID 140876888
1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol
CID 159943416
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate
CID 67792078
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methylcyclohex-2-en-1-one
CID 140892968

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one?
The IUPAC name of (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one (CID 11362619) is (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one?
The canonical SMILES for (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one is CC(C)(C)[Si](OC[C@]1(C(Cl)Cl)CCC(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one?
The InChIKey is SSDDTDKVJHXYLD-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26Cl2O3Si/c1-21(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-16-22(20(23)24)15-14-19(25)27-22/h4-13,20H,14-16H2,1-3H3/t22-/m0/s1.
What are the key properties of (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one?
(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one has a molecular weight of 437.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one is sourced from PubChem (CID 11362619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).