1-O-ethyl 5-O-methoxycarbonyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate

C15H28O7Si — CID 134952959

IUPAC1-O-ethyl 5-O-methoxycarbonyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCCOC(=O)C[C@@H](CC(=O)OC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O7Si/c1-8-20-12(16)9-11(10-13(17)21-14(18)19-5)22-23(6,7)15(2,3)4/h11H,8-10H2,1-7H3/t11-/m0/s1
InChIKeyPUVVJMFRCBMYBW-NSHDSACASA-N
MW348.47 g/mol
LogP3.03
Rot. Bonds7

About 1-O-ethyl 5-O-methoxycarbonyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate

1-O-ethyl 5-O-methoxycarbonyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate (PubChem CID 134952959) has the molecular formula C15H28O7Si and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-O-ethyl 5-O-methoxycarbonyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate.

Molecular Properties

Compound Name1-O-ethyl 5-O-methoxycarbonyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
PubChem CID134952959
Molecular FormulaC15H28O7Si
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-O-ethyl 5-O-methoxycarbonyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCCOC(=O)C[C@@H](CC(=O)OC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O7Si/c1-8-20-12(16)9-11(10-13(17)21-14(18)19-5)22-23(6,7)15(2,3)4/h11H,8-10H2,1-7H3/t11-/m0/s1
InChIKeyPUVVJMFRCBMYBW-NSHDSACASA-N
XLogP3.03
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-O-ethyl 5-O-methoxycarbonyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate 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

3-(Tert-butyldimethylsiloxy)glutaric anhydride
CID 4141040
Ethyl (S)-3-(tert-butyldimethylsiloxy)glutarate
CID 16212721
(R)-tert-Butyl ethyl 3-(tert-butyldimethylsiloxy)glutarate
CID 25034097
3-[[(1,1-Dimethyl)dimethylsily]oxy]pentanedioic acid monomethyl ester
CID 10934717
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 101860943
Dimethyl 3-([tert-butyl(dimethyl)silyl]oxy)pentanedioate
CID 560716
Diethyl 3-(tert-Butyldimethylsilyloxy)glutarate
CID 13327289
Dimethyl 3-triethylsilyloxypentanedioate
CID 11716231
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 13990018
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid
CID 134966850
Dimethyl 3-[(trimethylsilyl)oxy]pentanedioate
CID 560715
3-[Tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid
CID 4643315

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 5-O-methoxycarbonyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The IUPAC name of 1-O-ethyl 5-O-methoxycarbonyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate (CID 134952959) is 1-O-ethyl 5-O-methoxycarbonyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate.
What is the SMILES notation for 1-O-ethyl 5-O-methoxycarbonyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The canonical SMILES for 1-O-ethyl 5-O-methoxycarbonyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate is CCOC(=O)C[C@@H](CC(=O)OC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-O-ethyl 5-O-methoxycarbonyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The InChIKey is PUVVJMFRCBMYBW-NSHDSACASA-N. The full InChI is InChI=1S/C15H28O7Si/c1-8-20-12(16)9-11(10-13(17)21-14(18)19-5)22-23(6,7)15(2,3)4/h11H,8-10H2,1-7H3/t11-/m0/s1.
What are the key properties of 1-O-ethyl 5-O-methoxycarbonyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
1-O-ethyl 5-O-methoxycarbonyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate has a molecular weight of 348.47 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 5-O-methoxycarbonyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate is sourced from PubChem (CID 134952959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).