2-methoxy-3-methyl-2-trimethylsilyloxypent-4-enal

C10H20O3Si — CID 134923187

IUPAC2-methoxy-3-methyl-2-trimethylsilyloxypent-4-enal
SMILESC=CC(C)C(C=O)(OC)O[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-7-9(2)10(8-11,12-3)13-14(4,5)6/h7-9H,1H2,2-6H3
InChIKeyHSQHMWGVEMFMRP-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.20
Rot. Bonds6

About 2-methoxy-3-methyl-2-trimethylsilyloxypent-4-enal

2-methoxy-3-methyl-2-trimethylsilyloxypent-4-enal (PubChem CID 134923187) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-methoxy-3-methyl-2-trimethylsilyloxypent-4-enal.

Molecular Properties

Compound Name2-methoxy-3-methyl-2-trimethylsilyloxypent-4-enal
PubChem CID134923187
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name2-methoxy-3-methyl-2-trimethylsilyloxypent-4-enal
SMILESC=CC(C)C(C=O)(OC)O[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-7-9(2)10(8-11,12-3)13-14(4,5)6/h7-9H,1H2,2-6H3
InChIKeyHSQHMWGVEMFMRP-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.20
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-methoxy-3-methyl-2-trimethylsilyloxypent-4-enal?
The IUPAC name of 2-methoxy-3-methyl-2-trimethylsilyloxypent-4-enal (CID 134923187) is 2-methoxy-3-methyl-2-trimethylsilyloxypent-4-enal.
What is the SMILES notation for 2-methoxy-3-methyl-2-trimethylsilyloxypent-4-enal?
The canonical SMILES for 2-methoxy-3-methyl-2-trimethylsilyloxypent-4-enal is C=CC(C)C(C=O)(OC)O[Si](C)(C)C.
What is the InChIKey of 2-methoxy-3-methyl-2-trimethylsilyloxypent-4-enal?
The InChIKey is HSQHMWGVEMFMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-7-9(2)10(8-11,12-3)13-14(4,5)6/h7-9H,1H2,2-6H3.
What are the key properties of 2-methoxy-3-methyl-2-trimethylsilyloxypent-4-enal?
2-methoxy-3-methyl-2-trimethylsilyloxypent-4-enal has a molecular weight of 216.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-2-trimethylsilyloxypent-4-enal is sourced from PubChem (CID 134923187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).