(2E)-1-[tert-butyl(dimethyl)silyl]-3,7-dimethylocta-2,6-dien-1-one

C16H30OSi — CID 5366425

IUPAC(2E)-1-[tert-butyl(dimethyl)silyl]-3,7-dimethylocta-2,6-dien-1-one
SMILESCC(C)=CCC/C(C)=C/C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-13(2)10-9-11-14(3)12-15(17)18(7,8)16(4,5)6/h10,12H,9,11H2,1-8H3/b14-12+
InChIKeyRUPUTOPKFPSSQF-WYMLVPIESA-N
MW266.50 g/mol
LogP5.30
Rot. Bonds5

About (2E)-1-[tert-butyl(dimethyl)silyl]-3,7-dimethylocta-2,6-dien-1-one

(2E)-1-[tert-butyl(dimethyl)silyl]-3,7-dimethylocta-2,6-dien-1-one (PubChem CID 5366425) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is (2E)-1-[tert-butyl(dimethyl)silyl]-3,7-dimethylocta-2,6-dien-1-one.

Molecular Properties

Compound Name(2E)-1-[tert-butyl(dimethyl)silyl]-3,7-dimethylocta-2,6-dien-1-one
PubChem CID5366425
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name(2E)-1-[tert-butyl(dimethyl)silyl]-3,7-dimethylocta-2,6-dien-1-one
SMILESCC(C)=CCC/C(C)=C/C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-13(2)10-9-11-14(3)12-15(17)18(7,8)16(4,5)6/h10,12H,9,11H2,1-8H3/b14-12+
InChIKeyRUPUTOPKFPSSQF-WYMLVPIESA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-[tert-butyl(dimethyl)silyl]-3,7-dimethylocta-2,6-dien-1-one?
The IUPAC name of (2E)-1-[tert-butyl(dimethyl)silyl]-3,7-dimethylocta-2,6-dien-1-one (CID 5366425) is (2E)-1-[tert-butyl(dimethyl)silyl]-3,7-dimethylocta-2,6-dien-1-one.
What is the SMILES notation for (2E)-1-[tert-butyl(dimethyl)silyl]-3,7-dimethylocta-2,6-dien-1-one?
The canonical SMILES for (2E)-1-[tert-butyl(dimethyl)silyl]-3,7-dimethylocta-2,6-dien-1-one is CC(C)=CCC/C(C)=C/C(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E)-1-[tert-butyl(dimethyl)silyl]-3,7-dimethylocta-2,6-dien-1-one?
The InChIKey is RUPUTOPKFPSSQF-WYMLVPIESA-N. The full InChI is InChI=1S/C16H30OSi/c1-13(2)10-9-11-14(3)12-15(17)18(7,8)16(4,5)6/h10,12H,9,11H2,1-8H3/b14-12+.
What are the key properties of (2E)-1-[tert-butyl(dimethyl)silyl]-3,7-dimethylocta-2,6-dien-1-one?
(2E)-1-[tert-butyl(dimethyl)silyl]-3,7-dimethylocta-2,6-dien-1-one has a molecular weight of 266.50 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-[tert-butyl(dimethyl)silyl]-3,7-dimethylocta-2,6-dien-1-one is sourced from PubChem (CID 5366425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).