(3R)-2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylpentanedioic acid

C17H34O5Si — CID 91132868

IUPAC(3R)-2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylpentanedioic acid
SMILESCCC(C(=O)O)([C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H34O5Si/c1-10-17(14(20)21,15(2,3)4)12(11-13(18)19)22-23(8,9)16(5,6)7/h12H,10-11H2,1-9H3,(H,18,19)(H,20,21)/t12-,17?/m1/s1
InChIKeySGMJWJPRQNTMCL-MTATWXBHSA-N
MW346.54 g/mol
LogP4.38
Rot. Bonds7

About (3R)-2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylpentanedioic acid

(3R)-2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylpentanedioic acid (PubChem CID 91132868) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is (3R)-2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylpentanedioic acid.

Molecular Properties

Compound Name(3R)-2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylpentanedioic acid
PubChem CID91132868
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Name(3R)-2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylpentanedioic acid
SMILESCCC(C(=O)O)([C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H34O5Si/c1-10-17(14(20)21,15(2,3)4)12(11-13(18)19)22-23(8,9)16(5,6)7/h12H,10-11H2,1-9H3,(H,18,19)(H,20,21)/t12-,17?/m1/s1
InChIKeySGMJWJPRQNTMCL-MTATWXBHSA-N
XLogP4.38
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(1-acetylcyclopropyl)-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 134917090
(3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoic acid
CID 58901321
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid
CID 87206561
(3R)-2-tert-butyl-2-ethyl-3-hydroxypentanedioic acid
CID 88088729
(2R)-2-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanedioic acid
CID 141379495
(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanoic acid
CID 153726219
(4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid
CID 159702256
(3R)-3-dimethylsilyloxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid
CID 173032269
3-Tert-butyl-2-dimethylsilyloxycyclobutane-1,1-dicarboxylic acid
CID 173163049
(2R,3S,4S,5R)-4-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylhexanoic acid
CID 173646133
methyl (3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylhexanoate
CID 11231989
ethyl (3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylhexanoate
CID 44220963

Frequently Asked Questions

What is the IUPAC name of (3R)-2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylpentanedioic acid?
The IUPAC name of (3R)-2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylpentanedioic acid (CID 91132868) is (3R)-2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylpentanedioic acid.
What is the SMILES notation for (3R)-2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylpentanedioic acid?
The canonical SMILES for (3R)-2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylpentanedioic acid is CCC(C(=O)O)([C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (3R)-2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylpentanedioic acid?
The InChIKey is SGMJWJPRQNTMCL-MTATWXBHSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-10-17(14(20)21,15(2,3)4)12(11-13(18)19)22-23(8,9)16(5,6)7/h12H,10-11H2,1-9H3,(H,18,19)(H,20,21)/t12-,17?/m1/s1.
What are the key properties of (3R)-2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylpentanedioic acid?
(3R)-2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylpentanedioic acid has a molecular weight of 346.54 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylpentanedioic acid is sourced from PubChem (CID 91132868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).