2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanal

C15H30O3Si — CID 87954580

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanal
SMILESCCC(=O)C(C)(C)CC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-9-13(17)15(5,6)10-12(11-16)18-19(7,8)14(2,3)4/h11-12H,9-10H2,1-8H3
InChIKeyYLRNMNKGZAZNOV-UHFFFAOYSA-N
MW286.49 g/mol
LogP3.97
Rot. Bonds7

About 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanal

2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanal (PubChem CID 87954580) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanal
PubChem CID87954580
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanal
SMILESCCC(=O)C(C)(C)CC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-9-13(17)15(5,6)10-12(11-16)18-19(7,8)14(2,3)4/h11-12H,9-10H2,1-8H3
InChIKeyYLRNMNKGZAZNOV-UHFFFAOYSA-N
XLogP3.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 15202310
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 10565326
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate
CID 11843719
(E,2R,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-7-iodohept-6-enal
CID 101448696
2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal
CID 58461604
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
[tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate
CID 23067022
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate
CID 156749640

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanal (CID 87954580) is 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanal is CCC(=O)C(C)(C)CC(C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanal?
The InChIKey is YLRNMNKGZAZNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-9-13(17)15(5,6)10-12(11-16)18-19(7,8)14(2,3)4/h11-12H,9-10H2,1-8H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanal?
2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanal has a molecular weight of 286.49 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanal is sourced from PubChem (CID 87954580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).