dichloro(15-isocyanatopentadecyl)silane

C16H31Cl2NOSi — CID 173135794

IUPACdichloro(15-isocyanatopentadecyl)silane
SMILESO=C=NCCCCCCCCCCCCCCC[SiH](Cl)Cl
InChIInChI=1S/C16H31Cl2NOSi/c17-21(18)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19-16-20/h21H,1-15H2
InChIKeyODAIUSUZUZGJMZ-UHFFFAOYSA-N
MW352.42 g/mol
LogP6.09
Rot. Bonds16

About dichloro(15-isocyanatopentadecyl)silane

dichloro(15-isocyanatopentadecyl)silane (PubChem CID 173135794) has the molecular formula C16H31Cl2NOSi and a molecular weight of 352.42 g/mol. Its IUPAC name is dichloro(15-isocyanatopentadecyl)silane.

Molecular Properties

Compound Namedichloro(15-isocyanatopentadecyl)silane
PubChem CID173135794
Molecular FormulaC16H31Cl2NOSi
Molecular Weight352.42 g/mol
Exact Mass351.16
IUPAC Namedichloro(15-isocyanatopentadecyl)silane
SMILESO=C=NCCCCCCCCCCCCCCC[SiH](Cl)Cl
InChIInChI=1S/C16H31Cl2NOSi/c17-21(18)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19-16-20/h21H,1-15H2
InChIKeyODAIUSUZUZGJMZ-UHFFFAOYSA-N
XLogP6.09
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.42
LogP ≤ 56.09
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(29-isocyanatononacosyl)silane
CID 173135923
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(15-isocyanatopentadecyl)silane?
The IUPAC name of dichloro(15-isocyanatopentadecyl)silane (CID 173135794) is dichloro(15-isocyanatopentadecyl)silane.
What is the SMILES notation for dichloro(15-isocyanatopentadecyl)silane?
The canonical SMILES for dichloro(15-isocyanatopentadecyl)silane is O=C=NCCCCCCCCCCCCCCC[SiH](Cl)Cl.
What is the InChIKey of dichloro(15-isocyanatopentadecyl)silane?
The InChIKey is ODAIUSUZUZGJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31Cl2NOSi/c17-21(18)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19-16-20/h21H,1-15H2.
What are the key properties of dichloro(15-isocyanatopentadecyl)silane?
dichloro(15-isocyanatopentadecyl)silane has a molecular weight of 352.42 g/mol, XLogP of 6.09, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(15-isocyanatopentadecyl)silane is sourced from PubChem (CID 173135794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).