dichloro-(32-isocyanatodotriacontyl)-methylsilane

C34H67Cl2NOSi — CID 87683496

IUPACdichloro-(32-isocyanatodotriacontyl)-methylsilane
SMILESC[Si](Cl)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN=C=O
InChIInChI=1S/C34H67Cl2NOSi/c1-39(35,36)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37-34-38/h2-33H2,1H3
InChIKeyJGYSJZNWWFHDTD-UHFFFAOYSA-N
MW604.91 g/mol
LogP13.57
Rot. Bonds33

About dichloro-(32-isocyanatodotriacontyl)-methylsilane

dichloro-(32-isocyanatodotriacontyl)-methylsilane (PubChem CID 87683496) has the molecular formula C34H67Cl2NOSi and a molecular weight of 604.91 g/mol. Its IUPAC name is dichloro-(32-isocyanatodotriacontyl)-methylsilane.

Molecular Properties

Compound Namedichloro-(32-isocyanatodotriacontyl)-methylsilane
PubChem CID87683496
Molecular FormulaC34H67Cl2NOSi
Molecular Weight604.91 g/mol
Exact Mass603.44
IUPAC Namedichloro-(32-isocyanatodotriacontyl)-methylsilane
SMILESC[Si](Cl)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN=C=O
InChIInChI=1S/C34H67Cl2NOSi/c1-39(35,36)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37-34-38/h2-33H2,1H3
InChIKeyJGYSJZNWWFHDTD-UHFFFAOYSA-N
XLogP13.57
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.91
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

dichloro-(35-isocyanatopentatriacontyl)-methylsilane
CID 87681302
dichloro-(8-isocyanatooctyl)-methylsilane
CID 87681693
chloro-(22-isocyanatodocosyl)-dimethylsilane
CID 87685244
1,10-diisocyanatodecane;1,12-diisocyanatododecane
CID 126503786
1,15-diisocyanatopentadecane
CID 14454785
1,6-diisocyanatohexane;1,5-diisocyanatopentane
CID 23110384
8-isocyanatooctyl-dimethoxy-methylsilane
CID 141485857
17-isocyanatoheptadecyl(trimethoxy)silane
CID 87683791
16-isocyanatohexadecyl(trimethoxy)silane
CID 87683661
dichloro-[5-[dichloro(methyl)silyl]pentyl]-methylsilane
CID 154317252
triethoxy(38-isocyanatooctatriacontyl)silane
CID 87685744
triethoxy(30-isocyanatotriacontyl)silane
CID 87683947

Frequently Asked Questions

What is the IUPAC name of dichloro-(32-isocyanatodotriacontyl)-methylsilane?
The IUPAC name of dichloro-(32-isocyanatodotriacontyl)-methylsilane (CID 87683496) is dichloro-(32-isocyanatodotriacontyl)-methylsilane.
What is the SMILES notation for dichloro-(32-isocyanatodotriacontyl)-methylsilane?
The canonical SMILES for dichloro-(32-isocyanatodotriacontyl)-methylsilane is C[Si](Cl)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN=C=O.
What is the InChIKey of dichloro-(32-isocyanatodotriacontyl)-methylsilane?
The InChIKey is JGYSJZNWWFHDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H67Cl2NOSi/c1-39(35,36)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37-34-38/h2-33H2,1H3.
What are the key properties of dichloro-(32-isocyanatodotriacontyl)-methylsilane?
dichloro-(32-isocyanatodotriacontyl)-methylsilane has a molecular weight of 604.91 g/mol, XLogP of 13.57, 33 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(32-isocyanatodotriacontyl)-methylsilane is sourced from PubChem (CID 87683496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).