cyclopentyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate

C22H46O4Si2 — CID 156726802

IUPACcyclopentyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate
SMILESCC(CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C)CC(=O)OC1CCCC1
InChIInChI=1S/C22H46O4Si2/c1-18(15-20(23)26-19-13-11-12-14-19)16-24-28(10,22(5,6)7)17-25-27(8,9)21(2,3)4/h18-19H,11-17H2,1-10H3
InChIKeyBPRLIXUPDUJSCM-UHFFFAOYSA-N
MW430.78 g/mol
LogP6.45
Rot. Bonds9

About cyclopentyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate

cyclopentyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate (PubChem CID 156726802) has the molecular formula C22H46O4Si2 and a molecular weight of 430.78 g/mol. Its IUPAC name is cyclopentyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate.

Molecular Properties

Compound Namecyclopentyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate
PubChem CID156726802
Molecular FormulaC22H46O4Si2
Molecular Weight430.78 g/mol
Exact Mass430.29
IUPAC Namecyclopentyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate
SMILESCC(CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C)CC(=O)OC1CCCC1
InChIInChI=1S/C22H46O4Si2/c1-18(15-20(23)26-19-13-11-12-14-19)16-24-28(10,22(5,6)7)17-25-27(8,9)21(2,3)4/h18-19H,11-17H2,1-10H3
InChIKeyBPRLIXUPDUJSCM-UHFFFAOYSA-N
XLogP6.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.78
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclopentyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate with MolForge

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Related Compounds

Ethyl 4-(t-butyldimethylsilyloxy)-3-[(t-butyldimethyl-silyloxy)methyl]butanoate
CID 129825735
1,3-Bis[methoxy(dimethyl)silyl]propan-2-yl 2-methylbutanoate
CID 57591990
cyclopentyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
CID 58150168
1,5-Bis(trimethylsilyl)pentan-3-yl 2-methylbutanoate
CID 59881167
Cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
CID 76687594
CID 155659012
CID 155659012
Tert-butyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate
CID 156726760
Hexyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate
CID 156726766
Methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate
CID 156726768
Butyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate
CID 156726769
Propan-2-yl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate
CID 156726777
Cyclopentyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
CID 156726807

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate?
The IUPAC name of cyclopentyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate (CID 156726802) is cyclopentyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate.
What is the SMILES notation for cyclopentyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate?
The canonical SMILES for cyclopentyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate is CC(CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C)CC(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate?
The InChIKey is BPRLIXUPDUJSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O4Si2/c1-18(15-20(23)26-19-13-11-12-14-19)16-24-28(10,22(5,6)7)17-25-27(8,9)21(2,3)4/h18-19H,11-17H2,1-10H3.
What are the key properties of cyclopentyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate?
cyclopentyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate has a molecular weight of 430.78 g/mol, XLogP of 6.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate is sourced from PubChem (CID 156726802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).