2,2-dimethyl-7-trimethylsilylhept-6-ynal

C12H22OSi — CID 15701258

IUPAC2,2-dimethyl-7-trimethylsilylhept-6-ynal
SMILESCC(C)(C=O)CCCC#C[Si](C)(C)C
InChIInChI=1S/C12H22OSi/c1-12(2,11-13)9-7-6-8-10-14(3,4)5/h11H,6-7,9H2,1-5H3
InChIKeyQBHVBGUONWAAJY-UHFFFAOYSA-N
MW210.39 g/mol
LogP3.26
Rot. Bonds4

About 2,2-dimethyl-7-trimethylsilylhept-6-ynal

2,2-dimethyl-7-trimethylsilylhept-6-ynal (PubChem CID 15701258) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is 2,2-dimethyl-7-trimethylsilylhept-6-ynal.

Molecular Properties

Compound Name2,2-dimethyl-7-trimethylsilylhept-6-ynal
PubChem CID15701258
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name2,2-dimethyl-7-trimethylsilylhept-6-ynal
SMILESCC(C)(C=O)CCCC#C[Si](C)(C)C
InChIInChI=1S/C12H22OSi/c1-12(2,11-13)9-7-6-8-10-14(3,4)5/h11H,6-7,9H2,1-5H3
InChIKeyQBHVBGUONWAAJY-UHFFFAOYSA-N
XLogP3.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.26
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(Trimethylsilylmethyl)hexanal
CID 14527625
8-Trimethylsilyloct-6-ynal
CID 10512108
(4R)-4-methyl-7-trimethylsilylhept-6-ynal
CID 11446914
1-[(Trimethylsilyl)methyl]cyclopentane-1-carbaldehyde
CID 14085494
2-[[Tert-butyl(dimethyl)silyl]methyl]hexanal
CID 14527626
3,3-Dimethyl-5-trimethylsilylpent-4-ynal
CID 23643368
7-[Tert-butyl(dimethyl)silyl]hept-6-ynal
CID 162417595
1-(2-Triethylsilylethynyl)cyclohexane-1-carbaldehyde
CID 176428667
1-[2-[Tert-butyl(dimethyl)silyl]ethynyl]cyclohexane-1-carbaldehyde
CID 176428669
1-[2-[Tert-butyl(dimethyl)silyl]ethynyl]cyclopentane-1-carbaldehyde
CID 176428671
2,2-Dimethyl-5-trimethylsilylpent-4-ynal
CID 13736308
7-(Trimethylsilyl)hept-6-ynal
CID 14809950

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-trimethylsilylhept-6-ynal?
The IUPAC name of 2,2-dimethyl-7-trimethylsilylhept-6-ynal (CID 15701258) is 2,2-dimethyl-7-trimethylsilylhept-6-ynal.
What is the SMILES notation for 2,2-dimethyl-7-trimethylsilylhept-6-ynal?
The canonical SMILES for 2,2-dimethyl-7-trimethylsilylhept-6-ynal is CC(C)(C=O)CCCC#C[Si](C)(C)C.
What is the InChIKey of 2,2-dimethyl-7-trimethylsilylhept-6-ynal?
The InChIKey is QBHVBGUONWAAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi/c1-12(2,11-13)9-7-6-8-10-14(3,4)5/h11H,6-7,9H2,1-5H3.
What are the key properties of 2,2-dimethyl-7-trimethylsilylhept-6-ynal?
2,2-dimethyl-7-trimethylsilylhept-6-ynal has a molecular weight of 210.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-trimethylsilylhept-6-ynal is sourced from PubChem (CID 15701258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).