(5E)-5-[3-tri(propan-2-yl)silyloxypropylidene]cyclopent-2-en-1-one

C17H30O2Si — CID 140749954

IUPAC(5E)-5-[3-tri(propan-2-yl)silyloxypropylidene]cyclopent-2-en-1-one
SMILESCC(C)[Si](OCC/C=C1\CC=CC1=O)(C(C)C)C(C)C
InChIInChI=1S/C17H30O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-8-10-16-9-7-11-17(16)18/h7,10-11,13-15H,8-9,12H2,1-6H3/b16-10+
InChIKeyNLVOTFRRYZBNFA-MHWRWJLKSA-N
MW294.51 g/mol
LogP5.02
Rot. Bonds7

About (5E)-5-[3-tri(propan-2-yl)silyloxypropylidene]cyclopent-2-en-1-one

(5E)-5-[3-tri(propan-2-yl)silyloxypropylidene]cyclopent-2-en-1-one (PubChem CID 140749954) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is (5E)-5-[3-tri(propan-2-yl)silyloxypropylidene]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(5E)-5-[3-tri(propan-2-yl)silyloxypropylidene]cyclopent-2-en-1-one
PubChem CID140749954
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name(5E)-5-[3-tri(propan-2-yl)silyloxypropylidene]cyclopent-2-en-1-one
SMILESCC(C)[Si](OCC/C=C1\CC=CC1=O)(C(C)C)C(C)C
InChIInChI=1S/C17H30O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-8-10-16-9-7-11-17(16)18/h7,10-11,13-15H,8-9,12H2,1-6H3/b16-10+
InChIKeyNLVOTFRRYZBNFA-MHWRWJLKSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.51
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[3-tri(propan-2-yl)silyloxypropylidene]cyclopent-2-en-1-one?
The IUPAC name of (5E)-5-[3-tri(propan-2-yl)silyloxypropylidene]cyclopent-2-en-1-one (CID 140749954) is (5E)-5-[3-tri(propan-2-yl)silyloxypropylidene]cyclopent-2-en-1-one.
What is the SMILES notation for (5E)-5-[3-tri(propan-2-yl)silyloxypropylidene]cyclopent-2-en-1-one?
The canonical SMILES for (5E)-5-[3-tri(propan-2-yl)silyloxypropylidene]cyclopent-2-en-1-one is CC(C)[Si](OCC/C=C1\CC=CC1=O)(C(C)C)C(C)C.
What is the InChIKey of (5E)-5-[3-tri(propan-2-yl)silyloxypropylidene]cyclopent-2-en-1-one?
The InChIKey is NLVOTFRRYZBNFA-MHWRWJLKSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-8-10-16-9-7-11-17(16)18/h7,10-11,13-15H,8-9,12H2,1-6H3/b16-10+.
What are the key properties of (5E)-5-[3-tri(propan-2-yl)silyloxypropylidene]cyclopent-2-en-1-one?
(5E)-5-[3-tri(propan-2-yl)silyloxypropylidene]cyclopent-2-en-1-one has a molecular weight of 294.51 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[3-tri(propan-2-yl)silyloxypropylidene]cyclopent-2-en-1-one is sourced from PubChem (CID 140749954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).