3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-cyclopentylfuran-2,5-dione

C21H34O4Si — CID 90184945

IUPAC3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-cyclopentylfuran-2,5-dione
SMILESCC(C)(C)[Si](C)(C)OC1CCC(C2=C(C3CCCC3)C(=O)OC2=O)CC1
InChIInChI=1S/C21H34O4Si/c1-21(2,3)26(4,5)25-16-12-10-15(11-13-16)18-17(14-8-6-7-9-14)19(22)24-20(18)23/h14-16H,6-13H2,1-5H3
InChIKeyKXUUTKDWMXBEQZ-UHFFFAOYSA-N
MW378.59 g/mol
LogP5.14
Rot. Bonds4

About 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-cyclopentylfuran-2,5-dione

3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-cyclopentylfuran-2,5-dione (PubChem CID 90184945) has the molecular formula C21H34O4Si and a molecular weight of 378.59 g/mol. Its IUPAC name is 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-cyclopentylfuran-2,5-dione.

Molecular Properties

Compound Name3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-cyclopentylfuran-2,5-dione
PubChem CID90184945
Molecular FormulaC21H34O4Si
Molecular Weight378.59 g/mol
Exact Mass378.22
IUPAC Name3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-cyclopentylfuran-2,5-dione
SMILESCC(C)(C)[Si](C)(C)OC1CCC(C2=C(C3CCCC3)C(=O)OC2=O)CC1
InChIInChI=1S/C21H34O4Si/c1-21(2,3)26(4,5)25-16-12-10-15(11-13-16)18-17(14-8-6-7-9-14)19(22)24-20(18)23/h14-16H,6-13H2,1-5H3
InChIKeyKXUUTKDWMXBEQZ-UHFFFAOYSA-N
XLogP5.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.59
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3,4-dicyclopentylfuran-2,5-dione
CID 57026233
7-[tert-butyl(dimethyl)silyl]oxy-oxacyclotridecan-2-one
CID 102286780
tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane
CID 10638575
4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 85308334
6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-ol
CID 11778782
tert-butyl-(4-tert-butylcyclohexyl)oxy-dimethylsilane
CID 11021977
2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
tert-butyl-dimethyl-(5-methylidenecyclooctyl)oxysilane
CID 11118631
tert-butyl-[(5Z)-cycloundec-5-en-1-yl]oxy-dimethylsilane
CID 22177390
tert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane
CID 140674612
tert-butyl-cycloundec-4-en-1-yloxy-dimethylsilane
CID 68818664
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609

Frequently Asked Questions

What is the IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-cyclopentylfuran-2,5-dione?
The IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-cyclopentylfuran-2,5-dione (CID 90184945) is 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-cyclopentylfuran-2,5-dione.
What is the SMILES notation for 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-cyclopentylfuran-2,5-dione?
The canonical SMILES for 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-cyclopentylfuran-2,5-dione is CC(C)(C)[Si](C)(C)OC1CCC(C2=C(C3CCCC3)C(=O)OC2=O)CC1.
What is the InChIKey of 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-cyclopentylfuran-2,5-dione?
The InChIKey is KXUUTKDWMXBEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O4Si/c1-21(2,3)26(4,5)25-16-12-10-15(11-13-16)18-17(14-8-6-7-9-14)19(22)24-20(18)23/h14-16H,6-13H2,1-5H3.
What are the key properties of 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-cyclopentylfuran-2,5-dione?
3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-cyclopentylfuran-2,5-dione has a molecular weight of 378.59 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-cyclopentylfuran-2,5-dione is sourced from PubChem (CID 90184945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).