4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate

C29H38O4Si — CID 16663523

IUPAC4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate
SMILESCC(=O)OCCCCc1ccc(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)o1
InChIInChI=1S/C29H38O4Si/c1-24(30)31-22-12-11-14-25-20-21-26(33-25)15-13-23-32-34(29(2,3)4,27-16-7-5-8-17-27)28-18-9-6-10-19-28/h5-10,16-21H,11-15,22-23H2,1-4H3
InChIKeyKXBUCFHMIXTNKN-UHFFFAOYSA-N
MW478.71 g/mol
LogP5.67
Rot. Bonds12

About 4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate

4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate (PubChem CID 16663523) has the molecular formula C29H38O4Si and a molecular weight of 478.71 g/mol. Its IUPAC name is 4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate.

Molecular Properties

Compound Name4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate
PubChem CID16663523
Molecular FormulaC29H38O4Si
Molecular Weight478.71 g/mol
Exact Mass478.25
IUPAC Name4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate
SMILESCC(=O)OCCCCc1ccc(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)o1
InChIInChI=1S/C29H38O4Si/c1-24(30)31-22-12-11-14-25-20-21-26(33-25)15-13-23-32-34(29(2,3)4,27-16-7-5-8-17-27)28-18-9-6-10-19-28/h5-10,16-21H,11-15,22-23H2,1-4H3
InChIKeyKXBUCFHMIXTNKN-UHFFFAOYSA-N
XLogP5.67
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.71
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane
CID 140893830
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate
CID 10907379
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol
CID 102173956
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
6-[8-[tert-butyl(diphenyl)silyl]oxyoct-5-ynyl]-4-hydroxypyran-2-one
CID 132916777
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate?
The IUPAC name of 4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate (CID 16663523) is 4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate.
What is the SMILES notation for 4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate?
The canonical SMILES for 4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate is CC(=O)OCCCCc1ccc(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)o1.
What is the InChIKey of 4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate?
The InChIKey is KXBUCFHMIXTNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38O4Si/c1-24(30)31-22-12-11-14-25-20-21-26(33-25)15-13-23-32-34(29(2,3)4,27-16-7-5-8-17-27)28-18-9-6-10-19-28/h5-10,16-21H,11-15,22-23H2,1-4H3.
What are the key properties of 4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate?
4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate has a molecular weight of 478.71 g/mol, XLogP of 5.67, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate is sourced from PubChem (CID 16663523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).