3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one

C15H28O2Si — CID 12653997

IUPAC3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
SMILESCCCCC1=CC(=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-8-9-12-10-13(16)11-14(12)17-18(5,6)15(2,3)4/h10,14H,7-9,11H2,1-6H3
InChIKeyYXNATXMYGHFEIS-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.47
Rot. Bonds5

About 3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one

3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one (PubChem CID 12653997) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one.

Molecular Properties

Compound Name3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
PubChem CID12653997
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
SMILESCCCCC1=CC(=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-8-9-12-10-13(16)11-14(12)17-18(5,6)15(2,3)4/h10,14H,7-9,11H2,1-6H3
InChIKeyYXNATXMYGHFEIS-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.47
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 3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The IUPAC name of 3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one (CID 12653997) is 3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one.
What is the SMILES notation for 3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The canonical SMILES for 3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one is CCCCC1=CC(=O)CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The InChIKey is YXNATXMYGHFEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-7-8-9-12-10-13(16)11-14(12)17-18(5,6)15(2,3)4/h10,14H,7-9,11H2,1-6H3.
What are the key properties of 3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one has a molecular weight of 268.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one is sourced from PubChem (CID 12653997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).