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

C15H26O2Si — CID 22908400

IUPAC2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
SMILESC=CC(C)C1=CC(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C15H26O2Si/c1-8-11(2)13-9-12(10-14(13)16)17-18(6,7)15(3,4)5/h8-9,11-12H,1,10H2,2-7H3
InChIKeyLOHZQXPCDHUCQN-UHFFFAOYSA-N
MW266.46 g/mol
LogP4.10
Rot. Bonds4

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

2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one (PubChem CID 22908400) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is 2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
PubChem CID22908400
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
SMILESC=CC(C)C1=CC(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C15H26O2Si/c1-8-11(2)13-9-12(10-14(13)16)17-18(6,7)15(3,4)5/h8-9,11-12H,1,10H2,2-7H3
InChIKeyLOHZQXPCDHUCQN-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The IUPAC name of 2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one (CID 22908400) is 2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one.
What is the SMILES notation for 2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The canonical SMILES for 2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one is C=CC(C)C1=CC(O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of 2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The InChIKey is LOHZQXPCDHUCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-8-11(2)13-9-12(10-14(13)16)17-18(6,7)15(3,4)5/h8-9,11-12H,1,10H2,2-7H3.
What are the key properties of 2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one has a molecular weight of 266.46 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one is sourced from PubChem (CID 22908400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).