(E)-3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enal

C16H30O2Si — CID 19694133

IUPAC(E)-3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enal
SMILESC/C(C=O)=C\C1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H30O2Si/c1-13(12-17)11-14-7-9-15(10-8-14)18-19(5,6)16(2,3)4/h11-12,14-15H,7-10H2,1-6H3/b13-11+
InChIKeyFYBLCJYLLLJEOI-ACCUITESSA-N
MW282.50 g/mol
LogP4.71
Rot. Bonds4

About (E)-3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enal

(E)-3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enal (PubChem CID 19694133) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (E)-3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enal.

Molecular Properties

Compound Name(E)-3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enal
PubChem CID19694133
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(E)-3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enal
SMILESC/C(C=O)=C\C1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H30O2Si/c1-13(12-17)11-14-7-9-15(10-8-14)18-19(5,6)16(2,3)4/h11-12,14-15H,7-10H2,1-6H3/b13-11+
InChIKeyFYBLCJYLLLJEOI-ACCUITESSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (E)-3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enal?
The IUPAC name of (E)-3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enal (CID 19694133) is (E)-3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enal.
What is the SMILES notation for (E)-3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enal?
The canonical SMILES for (E)-3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enal is C/C(C=O)=C\C1CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of (E)-3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enal?
The InChIKey is FYBLCJYLLLJEOI-ACCUITESSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-13(12-17)11-14-7-9-15(10-8-14)18-19(5,6)16(2,3)4/h11-12,14-15H,7-10H2,1-6H3/b13-11+.
What are the key properties of (E)-3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enal?
(E)-3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enal has a molecular weight of 282.50 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enal is sourced from PubChem (CID 19694133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).