2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-4-enal

C13H26O3Si — CID 134923054

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-4-enal
SMILESC=CC(C)C(C=O)(OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-9-11(2)13(10-14,15-6)16-17(7,8)12(3,4)5/h9-11H,1H2,2-8H3
InChIKeyZSNMEDIMDQXFPD-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.37
Rot. Bonds6

About 2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-4-enal

2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-4-enal (PubChem CID 134923054) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-4-enal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-4-enal
PubChem CID134923054
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-4-enal
SMILESC=CC(C)C(C=O)(OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-9-11(2)13(10-14,15-6)16-17(7,8)12(3,4)5/h9-11H,1H2,2-8H3
InChIKeyZSNMEDIMDQXFPD-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-4-enal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-4-enal (CID 134923054) is 2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-4-enal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-4-enal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-4-enal is C=CC(C)C(C=O)(OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-4-enal?
The InChIKey is ZSNMEDIMDQXFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-9-11(2)13(10-14,15-6)16-17(7,8)12(3,4)5/h9-11H,1H2,2-8H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-4-enal?
2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-4-enal has a molecular weight of 258.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-4-enal is sourced from PubChem (CID 134923054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).