4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylidenecyclohept-3-en-1-one

C16H28O2Si — CID 11558220

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylidenecyclohept-3-en-1-one
SMILESCC(C)=C1C=C(O[Si](C)(C)C(C)(C)C)CCCC1=O
InChIInChI=1S/C16H28O2Si/c1-12(2)14-11-13(9-8-10-15(14)17)18-19(6,7)16(3,4)5/h11H,8-10H2,1-7H3
InChIKeyIANWFRZBLNKHHB-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.98
Rot. Bonds2

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

4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylidenecyclohept-3-en-1-one (PubChem CID 11558220) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylidenecyclohept-3-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylidenecyclohept-3-en-1-one
PubChem CID11558220
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylidenecyclohept-3-en-1-one
SMILESCC(C)=C1C=C(O[Si](C)(C)C(C)(C)C)CCCC1=O
InChIInChI=1S/C16H28O2Si/c1-12(2)14-11-13(9-8-10-15(14)17)18-19(6,7)16(3,4)5/h11H,8-10H2,1-7H3
InChIKeyIANWFRZBLNKHHB-UHFFFAOYSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylidenecyclohept-3-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylidenecyclohept-3-en-1-one (CID 11558220) is 4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylidenecyclohept-3-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylidenecyclohept-3-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylidenecyclohept-3-en-1-one is CC(C)=C1C=C(O[Si](C)(C)C(C)(C)C)CCCC1=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylidenecyclohept-3-en-1-one?
The InChIKey is IANWFRZBLNKHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-12(2)14-11-13(9-8-10-15(14)17)18-19(6,7)16(3,4)5/h11H,8-10H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylidenecyclohept-3-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylidenecyclohept-3-en-1-one has a molecular weight of 280.48 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylidenecyclohept-3-en-1-one is sourced from PubChem (CID 11558220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).