[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl] carbonochloridate

C24H25ClO3Si — CID 154479270

IUPAC[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl] carbonochloridate
SMILESCC(C)(C)[SiH2]OC(c1ccccc1)(c1ccccc1)c1ccc(OC(=O)Cl)cc1
InChIInChI=1S/C24H25ClO3Si/c1-23(2,3)29-28-24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)20-14-16-21(17-15-20)27-22(25)26/h4-17H,29H2,1-3H3
InChIKeyUGFNFDHKYCUBPM-UHFFFAOYSA-N
MW425.00 g/mol
LogP6.03
Rot. Bonds6

About [4-[tert-butylsilyloxy(diphenyl)methyl]phenyl] carbonochloridate

[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl] carbonochloridate (PubChem CID 154479270) has the molecular formula C24H25ClO3Si and a molecular weight of 425.00 g/mol. Its IUPAC name is [4-[tert-butylsilyloxy(diphenyl)methyl]phenyl] carbonochloridate.

Molecular Properties

Compound Name[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl] carbonochloridate
PubChem CID154479270
Molecular FormulaC24H25ClO3Si
Molecular Weight425.00 g/mol
Exact Mass424.13
IUPAC Name[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl] carbonochloridate
SMILESCC(C)(C)[SiH2]OC(c1ccccc1)(c1ccccc1)c1ccc(OC(=O)Cl)cc1
InChIInChI=1S/C24H25ClO3Si/c1-23(2,3)29-28-24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)20-14-16-21(17-15-20)27-22(25)26/h4-17H,29H2,1-3H3
InChIKeyUGFNFDHKYCUBPM-UHFFFAOYSA-N
XLogP6.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.00
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl]ethanone
CID 154436310
methanamine;phenyl carbonochloridate
CID 91260916
iron;phenyl carbonochloridate
CID 159914445
bis[4-[1-(4-phenoxycarbonyloxyphenyl)-1-phenylethyl]phenyl] carbonate
CID 146554941
chloro acetate;phenyl carbonochloridate
CID 87652464
disodium;[4-[2-(4-carbonochloridoyloxyphenyl)propan-2-yl]phenyl] carbonochloridate;carbonyl dichloride;4-[2-(4-oxidophenyl)propan-2-yl]phenolate
CID 161128503
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate
CID 58351625
carbonochloridic acid;phenyl 2,2-dimethylpropanoate
CID 174754992
(4-carbonochloridoylphenyl) 2-hydroxy-2,2-diphenylacetate
CID 154423526
[4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate
CID 59408587
[4-[1,1-bis(4-benzoyloxyphenyl)ethyl]phenyl] benzoate
CID 19918778
bis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate
CID 141468307

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butylsilyloxy(diphenyl)methyl]phenyl] carbonochloridate?
The IUPAC name of [4-[tert-butylsilyloxy(diphenyl)methyl]phenyl] carbonochloridate (CID 154479270) is [4-[tert-butylsilyloxy(diphenyl)methyl]phenyl] carbonochloridate.
What is the SMILES notation for [4-[tert-butylsilyloxy(diphenyl)methyl]phenyl] carbonochloridate?
The canonical SMILES for [4-[tert-butylsilyloxy(diphenyl)methyl]phenyl] carbonochloridate is CC(C)(C)[SiH2]OC(c1ccccc1)(c1ccccc1)c1ccc(OC(=O)Cl)cc1.
What is the InChIKey of [4-[tert-butylsilyloxy(diphenyl)methyl]phenyl] carbonochloridate?
The InChIKey is UGFNFDHKYCUBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClO3Si/c1-23(2,3)29-28-24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)20-14-16-21(17-15-20)27-22(25)26/h4-17H,29H2,1-3H3.
What are the key properties of [4-[tert-butylsilyloxy(diphenyl)methyl]phenyl] carbonochloridate?
[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl] carbonochloridate has a molecular weight of 425.00 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butylsilyloxy(diphenyl)methyl]phenyl] carbonochloridate is sourced from PubChem (CID 154479270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).