(3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enethioamide

C15H30BrNOSSi — CID 71358192

IUPAC(3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enethioamide
SMILESCC(Br)=C[C@@H](CC(N)=S)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30BrNOSSi/c1-10(2)20(11(3)4,12(5)6)18-14(8-13(7)16)9-15(17)19/h8,10-12,14H,9H2,1-7H3,(H2,17,19)/t14-/m0/s1
InChIKeyRQCBMEAPXDKBGQ-AWEZNQCLSA-N
MW380.47 g/mol
LogP5.52
Rot. Bonds8

About (3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enethioamide

(3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enethioamide (PubChem CID 71358192) has the molecular formula C15H30BrNOSSi and a molecular weight of 380.47 g/mol. Its IUPAC name is (3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enethioamide.

Molecular Properties

Compound Name(3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enethioamide
PubChem CID71358192
Molecular FormulaC15H30BrNOSSi
Molecular Weight380.47 g/mol
Exact Mass379.10
IUPAC Name(3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enethioamide
SMILESCC(Br)=C[C@@H](CC(N)=S)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30BrNOSSi/c1-10(2)20(11(3)4,12(5)6)18-14(8-13(7)16)9-15(17)19/h8,10-12,14H,9H2,1-7H3,(H2,17,19)/t14-/m0/s1
InChIKeyRQCBMEAPXDKBGQ-AWEZNQCLSA-N
XLogP5.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enethioamide?
The IUPAC name of (3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enethioamide (CID 71358192) is (3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enethioamide.
What is the SMILES notation for (3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enethioamide?
The canonical SMILES for (3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enethioamide is CC(Br)=C[C@@H](CC(N)=S)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enethioamide?
The InChIKey is RQCBMEAPXDKBGQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H30BrNOSSi/c1-10(2)20(11(3)4,12(5)6)18-14(8-13(7)16)9-15(17)19/h8,10-12,14H,9H2,1-7H3,(H2,17,19)/t14-/m0/s1.
What are the key properties of (3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enethioamide?
(3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enethioamide has a molecular weight of 380.47 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enethioamide is sourced from PubChem (CID 71358192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).