[4-dodecoxy-5-[4-dodecoxy-2-tri(propan-2-yl)silyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-tri(propan-2-yl)silane

C48H92N2O2S2Si2 — CID 59523108

IUPAC[4-dodecoxy-5-[4-dodecoxy-2-tri(propan-2-yl)silyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-tri(propan-2-yl)silane
SMILESCCCCCCCCCCCCOc1nc([Si](C(C)C)(C(C)C)C(C)C)sc1-c1sc([Si](C(C)C)(C(C)C)C(C)C)nc1OCCCCCCCCCCCC
InChIInChI=1S/C48H92N2O2S2Si2/c1-15-17-19-21-23-25-27-29-31-33-35-51-45-43(53-47(49-45)55(37(3)4,38(5)6)39(7)8)44-46(52-36-34-32-30-28-26-24-22-20-18-16-2)50-48(54-44)56(40(9)10,41(11)12)42(13)14/h37-42H,15-36H2,1-14H3
InChIKeyWXKUQWFVXXSVKN-UHFFFAOYSA-N
MW849.58 g/mol
LogP16.64
Rot. Bonds33

About [4-dodecoxy-5-[4-dodecoxy-2-tri(propan-2-yl)silyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-tri(propan-2-yl)silane

[4-dodecoxy-5-[4-dodecoxy-2-tri(propan-2-yl)silyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-tri(propan-2-yl)silane (PubChem CID 59523108) has the molecular formula C48H92N2O2S2Si2 and a molecular weight of 849.58 g/mol. Its IUPAC name is [4-dodecoxy-5-[4-dodecoxy-2-tri(propan-2-yl)silyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[4-dodecoxy-5-[4-dodecoxy-2-tri(propan-2-yl)silyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-tri(propan-2-yl)silane
PubChem CID59523108
Molecular FormulaC48H92N2O2S2Si2
Molecular Weight849.58 g/mol
Exact Mass848.61
IUPAC Name[4-dodecoxy-5-[4-dodecoxy-2-tri(propan-2-yl)silyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-tri(propan-2-yl)silane
SMILESCCCCCCCCCCCCOc1nc([Si](C(C)C)(C(C)C)C(C)C)sc1-c1sc([Si](C(C)C)(C(C)C)C(C)C)nc1OCCCCCCCCCCCC
InChIInChI=1S/C48H92N2O2S2Si2/c1-15-17-19-21-23-25-27-29-31-33-35-51-45-43(53-47(49-45)55(37(3)4,38(5)6)39(7)8)44-46(52-36-34-32-30-28-26-24-22-20-18-16-2)50-48(54-44)56(40(9)10,41(11)12)42(13)14/h37-42H,15-36H2,1-14H3
InChIKeyWXKUQWFVXXSVKN-UHFFFAOYSA-N
XLogP16.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds33
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.58
LogP ≤ 516.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole
CID 59523074
2,3-didecoxythieno[3,4-b]pyrazine
CID 21200017
2,3-didodecoxyquinoxaline
CID 139934452
4-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole
CID 59523103
6-heptoxy-5-propan-2-ylpyrimidin-4-amine
CID 80861295
4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331259
[7-(2-octyldecyl)-10-tri(propan-2-yl)silyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-tri(propan-2-yl)silane
CID 135053678
4-heptoxy-2-methyl-1,3-thiazole-5-carboxamide
CID 156544921
4-hexoxypyrimidin-5-amine
CID 79916301
1-(difluoromethoxy)decane
CID 14400535
2-phenyl-3-tridecoxythieno[3,4-b]pyrazine
CID 21200077
4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331315

Frequently Asked Questions

What is the IUPAC name of [4-dodecoxy-5-[4-dodecoxy-2-tri(propan-2-yl)silyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-tri(propan-2-yl)silane?
The IUPAC name of [4-dodecoxy-5-[4-dodecoxy-2-tri(propan-2-yl)silyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-tri(propan-2-yl)silane (CID 59523108) is [4-dodecoxy-5-[4-dodecoxy-2-tri(propan-2-yl)silyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [4-dodecoxy-5-[4-dodecoxy-2-tri(propan-2-yl)silyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [4-dodecoxy-5-[4-dodecoxy-2-tri(propan-2-yl)silyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-tri(propan-2-yl)silane is CCCCCCCCCCCCOc1nc([Si](C(C)C)(C(C)C)C(C)C)sc1-c1sc([Si](C(C)C)(C(C)C)C(C)C)nc1OCCCCCCCCCCCC.
What is the InChIKey of [4-dodecoxy-5-[4-dodecoxy-2-tri(propan-2-yl)silyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-tri(propan-2-yl)silane?
The InChIKey is WXKUQWFVXXSVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H92N2O2S2Si2/c1-15-17-19-21-23-25-27-29-31-33-35-51-45-43(53-47(49-45)55(37(3)4,38(5)6)39(7)8)44-46(52-36-34-32-30-28-26-24-22-20-18-16-2)50-48(54-44)56(40(9)10,41(11)12)42(13)14/h37-42H,15-36H2,1-14H3.
What are the key properties of [4-dodecoxy-5-[4-dodecoxy-2-tri(propan-2-yl)silyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-tri(propan-2-yl)silane?
[4-dodecoxy-5-[4-dodecoxy-2-tri(propan-2-yl)silyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-tri(propan-2-yl)silane has a molecular weight of 849.58 g/mol, XLogP of 16.64, 33 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-dodecoxy-5-[4-dodecoxy-2-tri(propan-2-yl)silyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 59523108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).