2,6-dimethyl-2-(3-methyl-3-trimethylsilyloxybutyl)heptanal

C17H36O2Si — CID 135041121

IUPAC2,6-dimethyl-2-(3-methyl-3-trimethylsilyloxybutyl)heptanal
SMILESCC(C)CCCC(C)(C=O)CCC(C)(C)O[Si](C)(C)C
InChIInChI=1S/C17H36O2Si/c1-15(2)10-9-11-17(5,14-18)13-12-16(3,4)19-20(6,7)8/h14-15H,9-13H2,1-8H3
InChIKeyOFGOVEKVGIDHQD-UHFFFAOYSA-N
MW300.56 g/mol
LogP5.43
Rot. Bonds10

About 2,6-dimethyl-2-(3-methyl-3-trimethylsilyloxybutyl)heptanal

2,6-dimethyl-2-(3-methyl-3-trimethylsilyloxybutyl)heptanal (PubChem CID 135041121) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is 2,6-dimethyl-2-(3-methyl-3-trimethylsilyloxybutyl)heptanal.

Molecular Properties

Compound Name2,6-dimethyl-2-(3-methyl-3-trimethylsilyloxybutyl)heptanal
PubChem CID135041121
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name2,6-dimethyl-2-(3-methyl-3-trimethylsilyloxybutyl)heptanal
SMILESCC(C)CCCC(C)(C=O)CCC(C)(C)O[Si](C)(C)C
InChIInChI=1S/C17H36O2Si/c1-15(2)10-9-11-17(5,14-18)13-12-16(3,4)19-20(6,7)8/h14-15H,9-13H2,1-8H3
InChIKeyOFGOVEKVGIDHQD-UHFFFAOYSA-N
XLogP5.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.43
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'}

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Related Compounds

7-{[tert-Butyl(dimethyl)silyl]oxy}-2,2,5-trimethylheptanal
CID 15654024
(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal
CID 138970752
(3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal
CID 10905822
(5R)-5,9-dimethyl-9-trimethylsilyloxydecanal
CID 15859990
2-butyl-7-(tert-butyldimethylsilyloxy)heptanaI
CID 18790891
5,5,9-Trimethyl-9-trimethylsilyloxydecanal
CID 21261659
5,9-Dimethyl-9-trimethylsilyloxydecanal
CID 21838904
(S)-5,9-dimethyl-9-trimethylsilanyloxy-decanal
CID 53652168
2-(3-Trimethylsilyloxypropyl)cyclododecan-1-one
CID 54031121
2-(2-Methyl-3-trimethylsilyloxypropyl)cyclododecan-1-one
CID 54277201
(5S)-5,9-dimethyl-9-triethylsilyloxydecanal
CID 57680490
(5S)-9-[tert-butyl(dimethyl)silyl]oxy-3,3,5,9-tetramethyldecanal
CID 57788448

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2-(3-methyl-3-trimethylsilyloxybutyl)heptanal?
The IUPAC name of 2,6-dimethyl-2-(3-methyl-3-trimethylsilyloxybutyl)heptanal (CID 135041121) is 2,6-dimethyl-2-(3-methyl-3-trimethylsilyloxybutyl)heptanal.
What is the SMILES notation for 2,6-dimethyl-2-(3-methyl-3-trimethylsilyloxybutyl)heptanal?
The canonical SMILES for 2,6-dimethyl-2-(3-methyl-3-trimethylsilyloxybutyl)heptanal is CC(C)CCCC(C)(C=O)CCC(C)(C)O[Si](C)(C)C.
What is the InChIKey of 2,6-dimethyl-2-(3-methyl-3-trimethylsilyloxybutyl)heptanal?
The InChIKey is OFGOVEKVGIDHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-15(2)10-9-11-17(5,14-18)13-12-16(3,4)19-20(6,7)8/h14-15H,9-13H2,1-8H3.
What are the key properties of 2,6-dimethyl-2-(3-methyl-3-trimethylsilyloxybutyl)heptanal?
2,6-dimethyl-2-(3-methyl-3-trimethylsilyloxybutyl)heptanal has a molecular weight of 300.56 g/mol, XLogP of 5.43, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2-(3-methyl-3-trimethylsilyloxybutyl)heptanal is sourced from PubChem (CID 135041121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).