2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-methoxycyclohex-2-en-1-one

C16H28O3Si — CID 10979374

IUPAC2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-methoxycyclohex-2-en-1-one
SMILESCOC1=C(/C=C/CO[Si](C)(C)C(C)(C)C)C(=O)CCC1
InChIInChI=1S/C16H28O3Si/c1-16(2,3)20(5,6)19-12-8-9-13-14(17)10-7-11-15(13)18-4/h8-9H,7,10-12H2,1-6H3/b9-8+
InChIKeyYFOBNRUVEPLQCV-CMDGGOBGSA-N
MW296.48 g/mol
LogP4.22
Rot. Bonds5

About 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-methoxycyclohex-2-en-1-one

2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-methoxycyclohex-2-en-1-one (PubChem CID 10979374) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-methoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-methoxycyclohex-2-en-1-one
PubChem CID10979374
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-methoxycyclohex-2-en-1-one
SMILESCOC1=C(/C=C/CO[Si](C)(C)C(C)(C)C)C(=O)CCC1
InChIInChI=1S/C16H28O3Si/c1-16(2,3)20(5,6)19-12-8-9-13-14(17)10-7-11-15(13)18-4/h8-9H,7,10-12H2,1-6H3/b9-8+
InChIKeyYFOBNRUVEPLQCV-CMDGGOBGSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-methoxycyclohex-2-en-1-one?
The IUPAC name of 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-methoxycyclohex-2-en-1-one (CID 10979374) is 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-methoxycyclohex-2-en-1-one.
What is the SMILES notation for 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-methoxycyclohex-2-en-1-one?
The canonical SMILES for 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-methoxycyclohex-2-en-1-one is COC1=C(/C=C/CO[Si](C)(C)C(C)(C)C)C(=O)CCC1.
What is the InChIKey of 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-methoxycyclohex-2-en-1-one?
The InChIKey is YFOBNRUVEPLQCV-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-16(2,3)20(5,6)19-12-8-9-13-14(17)10-7-11-15(13)18-4/h8-9H,7,10-12H2,1-6H3/b9-8+.
What are the key properties of 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-methoxycyclohex-2-en-1-one?
2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-methoxycyclohex-2-en-1-one has a molecular weight of 296.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-methoxycyclohex-2-en-1-one is sourced from PubChem (CID 10979374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).