2-[tert-butyl(dimethyl)silyl]heptanal

C13H28OSi — CID 14527632

IUPAC2-[tert-butyl(dimethyl)silyl]heptanal
SMILESCCCCCC(C=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-7-8-9-10-12(11-14)15(5,6)13(2,3)4/h11-12H,7-10H2,1-6H3
InChIKeyAAXWODXPLBKUNJ-UHFFFAOYSA-N
MW228.45 g/mol
LogP4.64
Rot. Bonds6

About 2-[tert-butyl(dimethyl)silyl]heptanal

2-[tert-butyl(dimethyl)silyl]heptanal (PubChem CID 14527632) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]heptanal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]heptanal
PubChem CID14527632
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Name2-[tert-butyl(dimethyl)silyl]heptanal
SMILESCCCCCC(C=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-7-8-9-10-12(11-14)15(5,6)13(2,3)4/h11-12H,7-10H2,1-6H3
InChIKeyAAXWODXPLBKUNJ-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

7-((tert-Butyldimethylsilyl)oxy)heptanal
CID 10922800
3-Trimethylsilylpentanal
CID 12824378
2-(Trimethylsilylmethyl)hexanal
CID 14527625
1-(Trimethylsilyl)heptan-1-one
CID 12829476
4-[Tert-butyl(dimethyl)silyl]oxyheptanal
CID 78114747
1-[Tert-butyl(dimethyl)silyl]octan-1-one
CID 10728899
2-Trimethylsilylheptanal
CID 10867073
1-Triethylsilylheptan-1-one
CID 11447533
2-[Tert-butyl(dimethyl)silyl]octanal
CID 11831616
2-[[Tert-butyl(dimethyl)silyl]methyl]hexanal
CID 14527626
(4R)-4-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 71567161
2-[Tert-butyl(dimethyl)silyl]-1-deuteriooctan-1-one
CID 101708371

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]heptanal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]heptanal (CID 14527632) is 2-[tert-butyl(dimethyl)silyl]heptanal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]heptanal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]heptanal is CCCCCC(C=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]heptanal?
The InChIKey is AAXWODXPLBKUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OSi/c1-7-8-9-10-12(11-14)15(5,6)13(2,3)4/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]heptanal?
2-[tert-butyl(dimethyl)silyl]heptanal has a molecular weight of 228.45 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]heptanal is sourced from PubChem (CID 14527632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).