3-methyl-3-trimethylsilyloxyhex-5-enal

C10H20O2Si — CID 154722335

IUPAC3-methyl-3-trimethylsilyloxyhex-5-enal
SMILESC=CCC(C)(CC=O)O[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-6-7-10(2,8-9-11)12-13(3,4)5/h6,9H,1,7-8H2,2-5H3
InChIKeyJKGSVXWTCVOVKJ-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.76
Rot. Bonds6

About 3-methyl-3-trimethylsilyloxyhex-5-enal

3-methyl-3-trimethylsilyloxyhex-5-enal (PubChem CID 154722335) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-methyl-3-trimethylsilyloxyhex-5-enal.

Molecular Properties

Compound Name3-methyl-3-trimethylsilyloxyhex-5-enal
PubChem CID154722335
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name3-methyl-3-trimethylsilyloxyhex-5-enal
SMILESC=CCC(C)(CC=O)O[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-6-7-10(2,8-9-11)12-13(3,4)5/h6,9H,1,7-8H2,2-5H3
InChIKeyJKGSVXWTCVOVKJ-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.76
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-trimethylsilyloxyhex-5-enal?
The IUPAC name of 3-methyl-3-trimethylsilyloxyhex-5-enal (CID 154722335) is 3-methyl-3-trimethylsilyloxyhex-5-enal.
What is the SMILES notation for 3-methyl-3-trimethylsilyloxyhex-5-enal?
The canonical SMILES for 3-methyl-3-trimethylsilyloxyhex-5-enal is C=CCC(C)(CC=O)O[Si](C)(C)C.
What is the InChIKey of 3-methyl-3-trimethylsilyloxyhex-5-enal?
The InChIKey is JKGSVXWTCVOVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-6-7-10(2,8-9-11)12-13(3,4)5/h6,9H,1,7-8H2,2-5H3.
What are the key properties of 3-methyl-3-trimethylsilyloxyhex-5-enal?
3-methyl-3-trimethylsilyloxyhex-5-enal has a molecular weight of 200.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-trimethylsilyloxyhex-5-enal is sourced from PubChem (CID 154722335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).