4,6-bis[tri(propan-2-yl)silyl]-1,3-dihydrocyclopenta[c]furan-5-one

C25H46O2Si2 — CID 71603289

IUPAC4,6-bis[tri(propan-2-yl)silyl]-1,3-dihydrocyclopenta[c]furan-5-one
SMILESCC(C)[Si](C1=C2COCC2=C([Si](C(C)C)(C(C)C)C(C)C)C1=O)(C(C)C)C(C)C
InChIInChI=1S/C25H46O2Si2/c1-15(2)28(16(3)4,17(5)6)24-21-13-27-14-22(21)25(23(24)26)29(18(7)8,19(9)10)20(11)12/h15-20H,13-14H2,1-12H3
InChIKeyNIKISMXFHNXUMN-UHFFFAOYSA-N
MW434.81 g/mol
LogP7.63
Rot. Bonds8

About 4,6-bis[tri(propan-2-yl)silyl]-1,3-dihydrocyclopenta[c]furan-5-one

4,6-bis[tri(propan-2-yl)silyl]-1,3-dihydrocyclopenta[c]furan-5-one (PubChem CID 71603289) has the molecular formula C25H46O2Si2 and a molecular weight of 434.81 g/mol. Its IUPAC name is 4,6-bis[tri(propan-2-yl)silyl]-1,3-dihydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name4,6-bis[tri(propan-2-yl)silyl]-1,3-dihydrocyclopenta[c]furan-5-one
PubChem CID71603289
Molecular FormulaC25H46O2Si2
Molecular Weight434.81 g/mol
Exact Mass434.30
IUPAC Name4,6-bis[tri(propan-2-yl)silyl]-1,3-dihydrocyclopenta[c]furan-5-one
SMILESCC(C)[Si](C1=C2COCC2=C([Si](C(C)C)(C(C)C)C(C)C)C1=O)(C(C)C)C(C)C
InChIInChI=1S/C25H46O2Si2/c1-15(2)28(16(3)4,17(5)6)24-21-13-27-14-22(21)25(23(24)26)29(18(7)8,19(9)10)20(11)12/h15-20H,13-14H2,1-12H3
InChIKeyNIKISMXFHNXUMN-UHFFFAOYSA-N
XLogP7.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.81
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis[tri(propan-2-yl)silyl]-1,3-dihydrocyclopenta[c]furan-5-one?
The IUPAC name of 4,6-bis[tri(propan-2-yl)silyl]-1,3-dihydrocyclopenta[c]furan-5-one (CID 71603289) is 4,6-bis[tri(propan-2-yl)silyl]-1,3-dihydrocyclopenta[c]furan-5-one.
What is the SMILES notation for 4,6-bis[tri(propan-2-yl)silyl]-1,3-dihydrocyclopenta[c]furan-5-one?
The canonical SMILES for 4,6-bis[tri(propan-2-yl)silyl]-1,3-dihydrocyclopenta[c]furan-5-one is CC(C)[Si](C1=C2COCC2=C([Si](C(C)C)(C(C)C)C(C)C)C1=O)(C(C)C)C(C)C.
What is the InChIKey of 4,6-bis[tri(propan-2-yl)silyl]-1,3-dihydrocyclopenta[c]furan-5-one?
The InChIKey is NIKISMXFHNXUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O2Si2/c1-15(2)28(16(3)4,17(5)6)24-21-13-27-14-22(21)25(23(24)26)29(18(7)8,19(9)10)20(11)12/h15-20H,13-14H2,1-12H3.
What are the key properties of 4,6-bis[tri(propan-2-yl)silyl]-1,3-dihydrocyclopenta[c]furan-5-one?
4,6-bis[tri(propan-2-yl)silyl]-1,3-dihydrocyclopenta[c]furan-5-one has a molecular weight of 434.81 g/mol, XLogP of 7.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[tri(propan-2-yl)silyl]-1,3-dihydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 71603289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).