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

C22H46O4Si2 — CID 167430541

IUPACcyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate
SMILESCC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)CC(=O)OC1CCCC1
InChIInChI=1S/C22H46O4Si2/c1-21(2,3)27(7,8)24-16-18(17-25-28(9,10)22(4,5)6)15-20(23)26-19-13-11-12-14-19/h18-19H,11-17H2,1-10H3
InChIKeyVNYMREJACNFPTA-UHFFFAOYSA-N
MW430.78 g/mol
LogP6.52
Rot. Bonds9

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

cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate (PubChem CID 167430541) has the molecular formula C22H46O4Si2 and a molecular weight of 430.78 g/mol. Its IUPAC name is cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate.

Molecular Properties

Compound Namecyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate
PubChem CID167430541
Molecular FormulaC22H46O4Si2
Molecular Weight430.78 g/mol
Exact Mass430.29
IUPAC Namecyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate
SMILESCC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)CC(=O)OC1CCCC1
InChIInChI=1S/C22H46O4Si2/c1-21(2,3)27(7,8)24-16-18(17-25-28(9,10)22(4,5)6)15-20(23)26-19-13-11-12-14-19/h18-19H,11-17H2,1-10H3
InChIKeyVNYMREJACNFPTA-UHFFFAOYSA-N
XLogP6.52
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 ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopentyl 4-hydroxy-3-(hydroxymethyl)butanoate
CID 156726795
cyclohexyl 3-dodecylheptadecanoate
CID 23148804
1-O-tert-butyl 4-O-cyclohexyl 2-(hydroxymethyl)butanedioate
CID 175248838
cyclohexyl 2-tert-butylsulfanylacetate
CID 78840380
cyclohexyl 3-chlorobutanoate
CID 19736706
cyclohexyl 3-cyclohexylbutanoate
CID 129263985
[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate
CID 140781546
tert-butyl-(cyclohexyloxymethoxy)-dimethylsilane
CID 139783422
tetracyclohexyl butane-1,2,3,4-tetracarboxylate
CID 91735158
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate
CID 167430533
cyclopentyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 59622358

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate?
The IUPAC name of cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate (CID 167430541) is cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate.
What is the SMILES notation for cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate?
The canonical SMILES for cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate is CC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)CC(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate?
The InChIKey is VNYMREJACNFPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O4Si2/c1-21(2,3)27(7,8)24-16-18(17-25-28(9,10)22(4,5)6)15-20(23)26-19-13-11-12-14-19/h18-19H,11-17H2,1-10H3.
What are the key properties of cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate?
cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate has a molecular weight of 430.78 g/mol, XLogP of 6.52, 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(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate is sourced from PubChem (CID 167430541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).