(3R)-3-dimethylsilyloxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid

C12H24O5Si — CID 173032269

IUPAC(3R)-3-dimethylsilyloxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid
SMILESCOC(=O)C([C@@H](CC(=O)O)O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C12H24O5Si/c1-12(2,3)10(11(15)16-4)8(7-9(13)14)17-18(5)6/h8,10,18H,7H2,1-6H3,(H,13,14)/t8-,10?/m1/s1
InChIKeyGBOFGIXQYOUMJB-HNHGDDPOSA-N
MW276.40 g/mol
LogP1.66
Rot. Bonds6

About (3R)-3-dimethylsilyloxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid

(3R)-3-dimethylsilyloxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid (PubChem CID 173032269) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is (3R)-3-dimethylsilyloxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name(3R)-3-dimethylsilyloxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid
PubChem CID173032269
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Name(3R)-3-dimethylsilyloxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid
SMILESCOC(=O)C([C@@H](CC(=O)O)O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C12H24O5Si/c1-12(2,3)10(11(15)16-4)8(7-9(13)14)17-18(5)6/h8,10,18H,7H2,1-6H3,(H,13,14)/t8-,10?/m1/s1
InChIKeyGBOFGIXQYOUMJB-HNHGDDPOSA-N
XLogP1.66
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-3-dimethylsilyloxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-dimethylsilyloxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid?
The IUPAC name of (3R)-3-dimethylsilyloxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid (CID 173032269) is (3R)-3-dimethylsilyloxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid.
What is the SMILES notation for (3R)-3-dimethylsilyloxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid?
The canonical SMILES for (3R)-3-dimethylsilyloxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid is COC(=O)C([C@@H](CC(=O)O)O[SiH](C)C)C(C)(C)C.
What is the InChIKey of (3R)-3-dimethylsilyloxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid?
The InChIKey is GBOFGIXQYOUMJB-HNHGDDPOSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-12(2,3)10(11(15)16-4)8(7-9(13)14)17-18(5)6/h8,10,18H,7H2,1-6H3,(H,13,14)/t8-,10?/m1/s1.
What are the key properties of (3R)-3-dimethylsilyloxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid?
(3R)-3-dimethylsilyloxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid has a molecular weight of 276.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-dimethylsilyloxy-4-methoxycarbonyl-5,5-dimethylhexanoic acid is sourced from PubChem (CID 173032269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).