ethyl (4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methyl-9-oxononanoate

C18H36O4Si — CID 134839543

IUPACethyl (4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methyl-9-oxononanoate
SMILESCCOC(=O)CC[C@@H](CCC[C@@H](C)C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-8-21-17(20)13-12-16(11-9-10-15(2)14-19)22-23(6,7)18(3,4)5/h14-16H,8-13H2,1-7H3/t15-,16-/m1/s1
InChIKeySTHKYMHKTAZVTL-HZPDHXFCSA-N
MW344.57 g/mol
LogP4.73
Rot. Bonds11

About ethyl (4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methyl-9-oxononanoate

ethyl (4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methyl-9-oxononanoate (PubChem CID 134839543) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is ethyl (4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methyl-9-oxononanoate.

Molecular Properties

Compound Nameethyl (4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methyl-9-oxononanoate
PubChem CID134839543
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Nameethyl (4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methyl-9-oxononanoate
SMILESCCOC(=O)CC[C@@H](CCC[C@@H](C)C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-8-21-17(20)13-12-16(11-9-10-15(2)14-19)22-23(6,7)18(3,4)5/h14-16H,8-13H2,1-7H3/t15-,16-/m1/s1
InChIKeySTHKYMHKTAZVTL-HZPDHXFCSA-N
XLogP4.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R,4S,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylheptanoate
CID 154722516
ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanoate
CID 54576108
methyl (3S)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-3-methylpentanoate
CID 101383536
methyl (3R)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-3-methylpentanoate
CID 101383537
tert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate
CID 138970754
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal
CID 11558306
Methyl 2,2-dimethyl-4-(formylmethyl)-8-(t-butyldimethylsiloxy)octanoate
CID 14986674
Diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate
CID 19904689
[(2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-oxononyl] 2,2-dimethylpropanoate
CID 21638267
tert-butyl 2-[(1S,2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formylcyclopentyl]acetate
CID 58520761
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethyl-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]octanoic acid
CID 59211749
(2S)-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-methylpropanal
CID 59994787

Frequently Asked Questions

What is the IUPAC name of ethyl (4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methyl-9-oxononanoate?
The IUPAC name of ethyl (4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methyl-9-oxononanoate (CID 134839543) is ethyl (4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methyl-9-oxononanoate.
What is the SMILES notation for ethyl (4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methyl-9-oxononanoate?
The canonical SMILES for ethyl (4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methyl-9-oxononanoate is CCOC(=O)CC[C@@H](CCC[C@@H](C)C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methyl-9-oxononanoate?
The InChIKey is STHKYMHKTAZVTL-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-8-21-17(20)13-12-16(11-9-10-15(2)14-19)22-23(6,7)18(3,4)5/h14-16H,8-13H2,1-7H3/t15-,16-/m1/s1.
What are the key properties of ethyl (4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methyl-9-oxononanoate?
ethyl (4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methyl-9-oxononanoate has a molecular weight of 344.57 g/mol, XLogP of 4.73, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methyl-9-oxononanoate is sourced from PubChem (CID 134839543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).