triethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane

C18H30INOSSi — CID 90972349

IUPACtriethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H](CC=C(C)I)C(C)=Cc1csc(C)n1
InChIInChI=1S/C18H30INOSSi/c1-7-23(8-2,9-3)21-18(11-10-15(5)19)14(4)12-17-13-22-16(6)20-17/h10,12-13,18H,7-9,11H2,1-6H3/t18-/m0/s1
InChIKeyBACDJKIPHQDIMD-SFHVURJKSA-N
MW463.50 g/mol
LogP6.97
Rot. Bonds9

About triethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane

triethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane (PubChem CID 90972349) has the molecular formula C18H30INOSSi and a molecular weight of 463.50 g/mol. Its IUPAC name is triethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane
PubChem CID90972349
Molecular FormulaC18H30INOSSi
Molecular Weight463.50 g/mol
Exact Mass463.09
IUPAC Nametriethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H](CC=C(C)I)C(C)=Cc1csc(C)n1
InChIInChI=1S/C18H30INOSSi/c1-7-23(8-2,9-3)21-18(11-10-15(5)19)14(4)12-17-13-22-16(6)20-17/h10,12-13,18H,7-9,11H2,1-6H3/t18-/m0/s1
InChIKeyBACDJKIPHQDIMD-SFHVURJKSA-N
XLogP6.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane?
The IUPAC name of triethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane (CID 90972349) is triethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane?
The canonical SMILES for triethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane is CC[Si](CC)(CC)O[C@@H](CC=C(C)I)C(C)=Cc1csc(C)n1.
What is the InChIKey of triethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane?
The InChIKey is BACDJKIPHQDIMD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H30INOSSi/c1-7-23(8-2,9-3)21-18(11-10-15(5)19)14(4)12-17-13-22-16(6)20-17/h10,12-13,18H,7-9,11H2,1-6H3/t18-/m0/s1.
What are the key properties of triethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane?
triethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane has a molecular weight of 463.50 g/mol, XLogP of 6.97, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane is sourced from PubChem (CID 90972349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).