[(3R)-5-(trimethylsilylmethyl)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] 2-chloroacetate

C21H43ClO3Si2 — CID 11189749

IUPAC[(3R)-5-(trimethylsilylmethyl)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] 2-chloroacetate
SMILESC=C(C[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)OC(=O)CCl)C[Si](C)(C)C
InChIInChI=1S/C21H43ClO3Si2/c1-16(2)27(17(3)4,18(5)6)24-12-11-20(25-21(23)14-22)13-19(7)15-26(8,9)10/h16-18,20H,7,11-15H2,1-6,8-10H3/t20-/m0/s1
InChIKeyYPRHPBAZDINYAA-FQEVSTJZSA-N
MW435.20 g/mol
LogP7.00
Rot. Bonds13

About [(3R)-5-(trimethylsilylmethyl)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] 2-chloroacetate

[(3R)-5-(trimethylsilylmethyl)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] 2-chloroacetate (PubChem CID 11189749) has the molecular formula C21H43ClO3Si2 and a molecular weight of 435.20 g/mol. Its IUPAC name is [(3R)-5-(trimethylsilylmethyl)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] 2-chloroacetate.

Molecular Properties

Compound Name[(3R)-5-(trimethylsilylmethyl)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] 2-chloroacetate
PubChem CID11189749
Molecular FormulaC21H43ClO3Si2
Molecular Weight435.20 g/mol
Exact Mass434.24
IUPAC Name[(3R)-5-(trimethylsilylmethyl)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] 2-chloroacetate
SMILESC=C(C[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)OC(=O)CCl)C[Si](C)(C)C
InChIInChI=1S/C21H43ClO3Si2/c1-16(2)27(17(3)4,18(5)6)24-12-11-20(25-21(23)14-22)13-19(7)15-26(8,9)10/h16-18,20H,7,11-15H2,1-6,8-10H3/t20-/m0/s1
InChIKeyYPRHPBAZDINYAA-FQEVSTJZSA-N
XLogP7.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.20
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate
CID 11233669

Frequently Asked Questions

What is the IUPAC name of [(3R)-5-(trimethylsilylmethyl)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] 2-chloroacetate?
The IUPAC name of [(3R)-5-(trimethylsilylmethyl)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] 2-chloroacetate (CID 11189749) is [(3R)-5-(trimethylsilylmethyl)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] 2-chloroacetate.
What is the SMILES notation for [(3R)-5-(trimethylsilylmethyl)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] 2-chloroacetate?
The canonical SMILES for [(3R)-5-(trimethylsilylmethyl)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] 2-chloroacetate is C=C(C[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)OC(=O)CCl)C[Si](C)(C)C.
What is the InChIKey of [(3R)-5-(trimethylsilylmethyl)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] 2-chloroacetate?
The InChIKey is YPRHPBAZDINYAA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H43ClO3Si2/c1-16(2)27(17(3)4,18(5)6)24-12-11-20(25-21(23)14-22)13-19(7)15-26(8,9)10/h16-18,20H,7,11-15H2,1-6,8-10H3/t20-/m0/s1.
What are the key properties of [(3R)-5-(trimethylsilylmethyl)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] 2-chloroacetate?
[(3R)-5-(trimethylsilylmethyl)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] 2-chloroacetate has a molecular weight of 435.20 g/mol, XLogP of 7.00, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5-(trimethylsilylmethyl)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] 2-chloroacetate is sourced from PubChem (CID 11189749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).