2-trimethylsilylheptanal

C10H22OSi — CID 10867073

IUPAC2-trimethylsilylheptanal
SMILESCCCCCC(C=O)[Si](C)(C)C
InChIInChI=1S/C10H22OSi/c1-5-6-7-8-10(9-11)12(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyMFSZTPGTCBISOR-UHFFFAOYSA-N
MW186.37 g/mol
LogP3.47
Rot. Bonds6

About 2-trimethylsilylheptanal

2-trimethylsilylheptanal (PubChem CID 10867073) has the molecular formula C10H22OSi and a molecular weight of 186.37 g/mol. Its IUPAC name is 2-trimethylsilylheptanal.

Molecular Properties

Compound Name2-trimethylsilylheptanal
PubChem CID10867073
Molecular FormulaC10H22OSi
Molecular Weight186.37 g/mol
Exact Mass186.14
IUPAC Name2-trimethylsilylheptanal
SMILESCCCCCC(C=O)[Si](C)(C)C
InChIInChI=1S/C10H22OSi/c1-5-6-7-8-10(9-11)12(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyMFSZTPGTCBISOR-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.37
LogP ≤ 53.47
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

Octyl trimethylsilyl ketone
CID 3538356
3-Trimethylsilylpentanal
CID 12824378
Undecanoyl-trimethylsilane
CID 13601208
1-Trimethylsilyldecan-1-one
CID 11790984
1-(Trimethylsilyl)heptan-1-one
CID 12829476
11-Trimethoxysilylundecanal
CID 45158950
8-Trimethylsilyloct-6-ynal
CID 10512108
Silane, trimethyl(1-oxooctyl)-
CID 11117077
1-Triethylsilylheptan-1-one
CID 11447533
2-[Tert-butyl(dimethyl)silyl]octanal
CID 11831616
2-[Tert-butyl(dimethyl)silyl]heptanal
CID 14527632
2-[Tert-butyl(dimethyl)silyl]-1-deuteriooctan-1-one
CID 101708371

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylheptanal?
The IUPAC name of 2-trimethylsilylheptanal (CID 10867073) is 2-trimethylsilylheptanal.
What is the SMILES notation for 2-trimethylsilylheptanal?
The canonical SMILES for 2-trimethylsilylheptanal is CCCCCC(C=O)[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylheptanal?
The InChIKey is MFSZTPGTCBISOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OSi/c1-5-6-7-8-10(9-11)12(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-trimethylsilylheptanal?
2-trimethylsilylheptanal has a molecular weight of 186.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylheptanal is sourced from PubChem (CID 10867073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).