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

C14H28O3Si — CID 134923301

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3-dimethylpent-4-enal
SMILESC=CC(C)(C)C(C=O)(OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-10-13(5,6)14(11-15,16-7)17-18(8,9)12(2,3)4/h10-11H,1H2,2-9H3
InChIKeyMFOJNWMIRDBKOW-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.76
Rot. Bonds6

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

2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3-dimethylpent-4-enal (PubChem CID 134923301) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3-dimethylpent-4-enal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3-dimethylpent-4-enal
PubChem CID134923301
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3-dimethylpent-4-enal
SMILESC=CC(C)(C)C(C=O)(OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-10-13(5,6)14(11-15,16-7)17-18(8,9)12(2,3)4/h10-11H,1H2,2-9H3
InChIKeyMFOJNWMIRDBKOW-UHFFFAOYSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.76
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-3,3-dimethylpent-4-enal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3-dimethylpent-4-enal (CID 134923301) is 2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3-dimethylpent-4-enal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3-dimethylpent-4-enal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3-dimethylpent-4-enal is C=CC(C)(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-3,3-dimethylpent-4-enal?
The InChIKey is MFOJNWMIRDBKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-10-13(5,6)14(11-15,16-7)17-18(8,9)12(2,3)4/h10-11H,1H2,2-9H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3-dimethylpent-4-enal?
2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3,3-dimethylpent-4-enal has a molecular weight of 272.46 g/mol, XLogP of 3.76, 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-3,3-dimethylpent-4-enal is sourced from PubChem (CID 134923301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).