2-chloroethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate

C17H33ClO5Si — CID 11291960

IUPAC2-chloroethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate
SMILESCCC(=O)[C@@H](C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OCCCl
InChIInChI=1S/C17H33ClO5Si/c1-9-13(19)12(2)14(21-6)15(16(20)22-11-10-18)23-24(7,8)17(3,4)5/h12,14-15H,9-11H2,1-8H3/t12-,14+,15-/m1/s1
InChIKeyLELDEGPQEIQEPN-VHDGCEQUSA-N
MW380.99 g/mol
LogP3.79
Rot. Bonds10

About 2-chloroethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate

2-chloroethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate (PubChem CID 11291960) has the molecular formula C17H33ClO5Si and a molecular weight of 380.99 g/mol. Its IUPAC name is 2-chloroethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate.

Molecular Properties

Compound Name2-chloroethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate
PubChem CID11291960
Molecular FormulaC17H33ClO5Si
Molecular Weight380.99 g/mol
Exact Mass380.18
IUPAC Name2-chloroethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate
SMILESCCC(=O)[C@@H](C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OCCCl
InChIInChI=1S/C17H33ClO5Si/c1-9-13(19)12(2)14(21-6)15(16(20)22-11-10-18)23-24(7,8)17(3,4)5/h12,14-15H,9-11H2,1-8H3/t12-,14+,15-/m1/s1
InChIKeyLELDEGPQEIQEPN-VHDGCEQUSA-N
XLogP3.79
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.99
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloroethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate 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

ethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate
CID 10929507
tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate
CID 11234201
methyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate
CID 101223327

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate?
The IUPAC name of 2-chloroethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate (CID 11291960) is 2-chloroethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate.
What is the SMILES notation for 2-chloroethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate?
The canonical SMILES for 2-chloroethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate is CCC(=O)[C@@H](C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OCCCl.
What is the InChIKey of 2-chloroethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate?
The InChIKey is LELDEGPQEIQEPN-VHDGCEQUSA-N. The full InChI is InChI=1S/C17H33ClO5Si/c1-9-13(19)12(2)14(21-6)15(16(20)22-11-10-18)23-24(7,8)17(3,4)5/h12,14-15H,9-11H2,1-8H3/t12-,14+,15-/m1/s1.
What are the key properties of 2-chloroethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate?
2-chloroethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate has a molecular weight of 380.99 g/mol, XLogP of 3.79, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate is sourced from PubChem (CID 11291960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).