dichloro(29-isocyanatononacosyl)silane

C30H59Cl2NOSi — CID 173135923

IUPACdichloro(29-isocyanatononacosyl)silane
SMILESO=C=NCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](Cl)Cl
InChIInChI=1S/C30H59Cl2NOSi/c31-35(32)29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-33-30-34/h35H,1-29H2
InChIKeyRMGRTKDSENDZBS-UHFFFAOYSA-N
MW548.80 g/mol
LogP11.55
Rot. Bonds30

About dichloro(29-isocyanatononacosyl)silane

dichloro(29-isocyanatononacosyl)silane (PubChem CID 173135923) has the molecular formula C30H59Cl2NOSi and a molecular weight of 548.80 g/mol. Its IUPAC name is dichloro(29-isocyanatononacosyl)silane.

Molecular Properties

Compound Namedichloro(29-isocyanatononacosyl)silane
PubChem CID173135923
Molecular FormulaC30H59Cl2NOSi
Molecular Weight548.80 g/mol
Exact Mass547.37
IUPAC Namedichloro(29-isocyanatononacosyl)silane
SMILESO=C=NCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](Cl)Cl
InChIInChI=1S/C30H59Cl2NOSi/c31-35(32)29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-33-30-34/h35H,1-29H2
InChIKeyRMGRTKDSENDZBS-UHFFFAOYSA-N
XLogP11.55
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.80
LogP ≤ 511.55
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(15-isocyanatopentadecyl)silane
CID 173135794
dichloro(37-isocyanatoheptatriacontyl)silane
CID 173136579
dichloro(13-isocyanatotridecyl)silane
CID 173136330
1,10-diisocyanatodecane;1,12-diisocyanatododecane
CID 126503786
1,6-diisocyanatohexane;1,5-diisocyanatopentane
CID 23110384
1,15-diisocyanatopentadecane
CID 14454785
1-fluoro-6-isocyanatohexane
CID 83854345
14-isocyanatotetradecan-1-ol
CID 87683620
1-fluoro-14-isocyanatotetradecane
CID 171060665
9-isocyanatononan-1-ol
CID 87686288
1-fluoro-12-isocyanatododecane
CID 171060670
1-fluoro-18-isocyanatooctadecane
CID 171060668

Frequently Asked Questions

What is the IUPAC name of dichloro(29-isocyanatononacosyl)silane?
The IUPAC name of dichloro(29-isocyanatononacosyl)silane (CID 173135923) is dichloro(29-isocyanatononacosyl)silane.
What is the SMILES notation for dichloro(29-isocyanatononacosyl)silane?
The canonical SMILES for dichloro(29-isocyanatononacosyl)silane is O=C=NCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](Cl)Cl.
What is the InChIKey of dichloro(29-isocyanatononacosyl)silane?
The InChIKey is RMGRTKDSENDZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59Cl2NOSi/c31-35(32)29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-33-30-34/h35H,1-29H2.
What are the key properties of dichloro(29-isocyanatononacosyl)silane?
dichloro(29-isocyanatononacosyl)silane has a molecular weight of 548.80 g/mol, XLogP of 11.55, 30 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(29-isocyanatononacosyl)silane is sourced from PubChem (CID 173135923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).