dichloro(13-isocyanatotridecyl)silane

C14H27Cl2NOSi — CID 173136330

IUPACdichloro(13-isocyanatotridecyl)silane
SMILESO=C=NCCCCCCCCCCCCC[SiH](Cl)Cl
InChIInChI=1S/C14H27Cl2NOSi/c15-19(16)13-11-9-7-5-3-1-2-4-6-8-10-12-17-14-18/h19H,1-13H2
InChIKeyPHRFBANFQPURTC-UHFFFAOYSA-N
MW324.37 g/mol
LogP5.31
Rot. Bonds14

About dichloro(13-isocyanatotridecyl)silane

dichloro(13-isocyanatotridecyl)silane (PubChem CID 173136330) has the molecular formula C14H27Cl2NOSi and a molecular weight of 324.37 g/mol. Its IUPAC name is dichloro(13-isocyanatotridecyl)silane.

Molecular Properties

Compound Namedichloro(13-isocyanatotridecyl)silane
PubChem CID173136330
Molecular FormulaC14H27Cl2NOSi
Molecular Weight324.37 g/mol
Exact Mass323.12
IUPAC Namedichloro(13-isocyanatotridecyl)silane
SMILESO=C=NCCCCCCCCCCCCC[SiH](Cl)Cl
InChIInChI=1S/C14H27Cl2NOSi/c15-19(16)13-11-9-7-5-3-1-2-4-6-8-10-12-17-14-18/h19H,1-13H2
InChIKeyPHRFBANFQPURTC-UHFFFAOYSA-N
XLogP5.31
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.37
LogP ≤ 55.31
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(15-isocyanatopentadecyl)silane
CID 173135794
dichloro(37-isocyanatoheptatriacontyl)silane
CID 173136579
1,10-diisocyanatodecane;1,12-diisocyanatododecane
CID 126503786
1,15-diisocyanatopentadecane
CID 14454785
1,6-diisocyanatohexane;1,5-diisocyanatopentane
CID 23110384
1-chloro-7-isocyanatoheptane
CID 19019022
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

Frequently Asked Questions

What is the IUPAC name of dichloro(13-isocyanatotridecyl)silane?
The IUPAC name of dichloro(13-isocyanatotridecyl)silane (CID 173136330) is dichloro(13-isocyanatotridecyl)silane.
What is the SMILES notation for dichloro(13-isocyanatotridecyl)silane?
The canonical SMILES for dichloro(13-isocyanatotridecyl)silane is O=C=NCCCCCCCCCCCCC[SiH](Cl)Cl.
What is the InChIKey of dichloro(13-isocyanatotridecyl)silane?
The InChIKey is PHRFBANFQPURTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27Cl2NOSi/c15-19(16)13-11-9-7-5-3-1-2-4-6-8-10-12-17-14-18/h19H,1-13H2.
What are the key properties of dichloro(13-isocyanatotridecyl)silane?
dichloro(13-isocyanatotridecyl)silane has a molecular weight of 324.37 g/mol, XLogP of 5.31, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(13-isocyanatotridecyl)silane is sourced from PubChem (CID 173136330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).