3,3-dimethyl-2-trimethylsilyloxyhex-5-enal

C11H22O2Si — CID 101025334

IUPAC3,3-dimethyl-2-trimethylsilyloxyhex-5-enal
SMILESC=CCC(C)(C)C(C=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-8-11(2,3)10(9-12)13-14(4,5)6/h7,9-10H,1,8H2,2-6H3
InChIKeyKHUVYGSYSSVQAM-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.01
Rot. Bonds6

About 3,3-dimethyl-2-trimethylsilyloxyhex-5-enal

3,3-dimethyl-2-trimethylsilyloxyhex-5-enal (PubChem CID 101025334) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 3,3-dimethyl-2-trimethylsilyloxyhex-5-enal.

Molecular Properties

Compound Name3,3-dimethyl-2-trimethylsilyloxyhex-5-enal
PubChem CID101025334
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name3,3-dimethyl-2-trimethylsilyloxyhex-5-enal
SMILESC=CCC(C)(C)C(C=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-8-11(2,3)10(9-12)13-14(4,5)6/h7,9-10H,1,8H2,2-6H3
InChIKeyKHUVYGSYSSVQAM-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.01
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 3,3-dimethyl-2-trimethylsilyloxyhex-5-enal?
The IUPAC name of 3,3-dimethyl-2-trimethylsilyloxyhex-5-enal (CID 101025334) is 3,3-dimethyl-2-trimethylsilyloxyhex-5-enal.
What is the SMILES notation for 3,3-dimethyl-2-trimethylsilyloxyhex-5-enal?
The canonical SMILES for 3,3-dimethyl-2-trimethylsilyloxyhex-5-enal is C=CCC(C)(C)C(C=O)O[Si](C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-trimethylsilyloxyhex-5-enal?
The InChIKey is KHUVYGSYSSVQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-7-8-11(2,3)10(9-12)13-14(4,5)6/h7,9-10H,1,8H2,2-6H3.
What are the key properties of 3,3-dimethyl-2-trimethylsilyloxyhex-5-enal?
3,3-dimethyl-2-trimethylsilyloxyhex-5-enal has a molecular weight of 214.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-trimethylsilyloxyhex-5-enal is sourced from PubChem (CID 101025334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).