3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-oxoheptanoic acid

C15H30O4Si — CID 141091505

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-oxoheptanoic acid
SMILESCCC(=O)CC(O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C15H30O4Si/c1-9-11(16)10-12(15(5,6)13(17)18)19-20(7,8)14(2,3)4/h12H,9-10H2,1-8H3,(H,17,18)
InChIKeyQIBPZZYFGRZSMH-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.86
Rot. Bonds7

About 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-oxoheptanoic acid

3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-oxoheptanoic acid (PubChem CID 141091505) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-oxoheptanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-oxoheptanoic acid
PubChem CID141091505
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-oxoheptanoic acid
SMILESCCC(=O)CC(O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C15H30O4Si/c1-9-11(16)10-12(15(5,6)13(17)18)19-20(7,8)14(2,3)4/h12H,9-10H2,1-8H3,(H,17,18)
InChIKeyQIBPZZYFGRZSMH-UHFFFAOYSA-N
XLogP3.86
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-oxoheptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3s)-3-(Tert-butyl-dimethyl-silanyloxy)-4,4-dimethyl-5-oxo-heptanoic acid
CID 9966179
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid
CID 11460855
(3S)-3-(1-acetylcyclopropyl)-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 134917090
(3S)-4,4-Dimethyl-3-hydroxy-5-oxo-heptanoic acid
CID 11480910
3-[Tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanoic acid
CID 12080794
(3S,6R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxononanoic acid
CID 12171799
3-Hydroxy-4,4-dimethyl-5-oxoheptanoic acid
CID 21333996
3-[Ethyl(dimethyl)silyl]oxy-3-(1-propanoylcyclobutyl)propanoic acid
CID 22244417
6-Bromo-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanoic acid
CID 22559388
3-Methoxy-4,4-dimethyl-5-oxoheptanoic acid
CID 22966975
3-[1-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]-3-hydroxypropanoic acid
CID 57039574
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoic acid
CID 57621523

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-oxoheptanoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-oxoheptanoic acid (CID 141091505) is 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-oxoheptanoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-oxoheptanoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-oxoheptanoic acid is CCC(=O)CC(O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-oxoheptanoic acid?
The InChIKey is QIBPZZYFGRZSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-9-11(16)10-12(15(5,6)13(17)18)19-20(7,8)14(2,3)4/h12H,9-10H2,1-8H3,(H,17,18).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-oxoheptanoic acid?
3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-oxoheptanoic acid has a molecular weight of 302.49 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-oxoheptanoic acid is sourced from PubChem (CID 141091505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).