3-[ethyl(dimethyl)silyl]oxy-3-(1-propanoylcyclobutyl)propanoic acid

C14H26O4Si — CID 22244417

IUPAC3-[ethyl(dimethyl)silyl]oxy-3-(1-propanoylcyclobutyl)propanoic acid
SMILESCCC(=O)C1(C(CC(=O)O)O[Si](C)(C)CC)CCC1
InChIInChI=1S/C14H26O4Si/c1-5-11(15)14(8-7-9-14)12(10-13(16)17)18-19(3,4)6-2/h12H,5-10H2,1-4H3,(H,16,17)
InChIKeyFYFSBMMDAZYOAA-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.22
Rot. Bonds8

About 3-[ethyl(dimethyl)silyl]oxy-3-(1-propanoylcyclobutyl)propanoic acid

3-[ethyl(dimethyl)silyl]oxy-3-(1-propanoylcyclobutyl)propanoic acid (PubChem CID 22244417) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-[ethyl(dimethyl)silyl]oxy-3-(1-propanoylcyclobutyl)propanoic acid.

Molecular Properties

Compound Name3-[ethyl(dimethyl)silyl]oxy-3-(1-propanoylcyclobutyl)propanoic acid
PubChem CID22244417
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name3-[ethyl(dimethyl)silyl]oxy-3-(1-propanoylcyclobutyl)propanoic acid
SMILESCCC(=O)C1(C(CC(=O)O)O[Si](C)(C)CC)CCC1
InChIInChI=1S/C14H26O4Si/c1-5-11(15)14(8-7-9-14)12(10-13(16)17)18-19(3,4)6-2/h12H,5-10H2,1-4H3,(H,16,17)
InChIKeyFYFSBMMDAZYOAA-UHFFFAOYSA-N
XLogP3.22
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
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)-6-bromo-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanoic acid
CID 72723383
(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxoheptanoic acid
CID 87731325

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(dimethyl)silyl]oxy-3-(1-propanoylcyclobutyl)propanoic acid?
The IUPAC name of 3-[ethyl(dimethyl)silyl]oxy-3-(1-propanoylcyclobutyl)propanoic acid (CID 22244417) is 3-[ethyl(dimethyl)silyl]oxy-3-(1-propanoylcyclobutyl)propanoic acid.
What is the SMILES notation for 3-[ethyl(dimethyl)silyl]oxy-3-(1-propanoylcyclobutyl)propanoic acid?
The canonical SMILES for 3-[ethyl(dimethyl)silyl]oxy-3-(1-propanoylcyclobutyl)propanoic acid is CCC(=O)C1(C(CC(=O)O)O[Si](C)(C)CC)CCC1.
What is the InChIKey of 3-[ethyl(dimethyl)silyl]oxy-3-(1-propanoylcyclobutyl)propanoic acid?
The InChIKey is FYFSBMMDAZYOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-5-11(15)14(8-7-9-14)12(10-13(16)17)18-19(3,4)6-2/h12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 3-[ethyl(dimethyl)silyl]oxy-3-(1-propanoylcyclobutyl)propanoic acid?
3-[ethyl(dimethyl)silyl]oxy-3-(1-propanoylcyclobutyl)propanoic acid has a molecular weight of 286.44 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(dimethyl)silyl]oxy-3-(1-propanoylcyclobutyl)propanoic acid is sourced from PubChem (CID 22244417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).