2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one

C15H20O2Si — CID 135039951

IUPAC2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
SMILESC[Si](C)(C)C#C/C=C\C1CC(=O)C2=C(CCC2)O1
InChIInChI=1S/C15H20O2Si/c1-18(2,3)10-5-4-7-12-11-14(16)13-8-6-9-15(13)17-12/h4,7,12H,6,8-9,11H2,1-3H3/b7-4-
InChIKeyRQFMGIYFSZNWFX-DAXSKMNVSA-N
MW260.41 g/mol
LogP3.22
Rot. Bonds1

About 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one

2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one (PubChem CID 135039951) has the molecular formula C15H20O2Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one.

Molecular Properties

Compound Name2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
PubChem CID135039951
Molecular FormulaC15H20O2Si
Molecular Weight260.41 g/mol
Exact Mass260.12
IUPAC Name2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
SMILESC[Si](C)(C)C#C/C=C\C1CC(=O)C2=C(CCC2)O1
InChIInChI=1S/C15H20O2Si/c1-18(2,3)10-5-4-7-12-11-14(16)13-8-6-9-15(13)17-12/h4,7,12H,6,8-9,11H2,1-3H3/b7-4-
InChIKeyRQFMGIYFSZNWFX-DAXSKMNVSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one with MolForge

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Related Compounds

(2R)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
CID 16220370
2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
CID 102385261
2-[(Z)-oct-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
CID 135016262

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one?
The IUPAC name of 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one (CID 135039951) is 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one.
What is the SMILES notation for 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one?
The canonical SMILES for 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one is C[Si](C)(C)C#C/C=C\C1CC(=O)C2=C(CCC2)O1.
What is the InChIKey of 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one?
The InChIKey is RQFMGIYFSZNWFX-DAXSKMNVSA-N. The full InChI is InChI=1S/C15H20O2Si/c1-18(2,3)10-5-4-7-12-11-14(16)13-8-6-9-15(13)17-12/h4,7,12H,6,8-9,11H2,1-3H3/b7-4-.
What are the key properties of 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one?
2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one has a molecular weight of 260.41 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one is sourced from PubChem (CID 135039951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).