dichloro-(8-isocyanatooctyl)-methylsilane

C10H19Cl2NOSi — CID 87681693

IUPACdichloro-(8-isocyanatooctyl)-methylsilane
SMILESC[Si](Cl)(Cl)CCCCCCCCN=C=O
InChIInChI=1S/C10H19Cl2NOSi/c1-15(11,12)9-7-5-3-2-4-6-8-13-10-14/h2-9H2,1H3
InChIKeySOZQDULZWIZSQN-UHFFFAOYSA-N
MW268.26 g/mol
LogP4.21
Rot. Bonds9

About dichloro-(8-isocyanatooctyl)-methylsilane

dichloro-(8-isocyanatooctyl)-methylsilane (PubChem CID 87681693) has the molecular formula C10H19Cl2NOSi and a molecular weight of 268.26 g/mol. Its IUPAC name is dichloro-(8-isocyanatooctyl)-methylsilane.

Molecular Properties

Compound Namedichloro-(8-isocyanatooctyl)-methylsilane
PubChem CID87681693
Molecular FormulaC10H19Cl2NOSi
Molecular Weight268.26 g/mol
Exact Mass267.06
IUPAC Namedichloro-(8-isocyanatooctyl)-methylsilane
SMILESC[Si](Cl)(Cl)CCCCCCCCN=C=O
InChIInChI=1S/C10H19Cl2NOSi/c1-15(11,12)9-7-5-3-2-4-6-8-13-10-14/h2-9H2,1H3
InChIKeySOZQDULZWIZSQN-UHFFFAOYSA-N
XLogP4.21
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 54.21
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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Frequently Asked Questions

What is the IUPAC name of dichloro-(8-isocyanatooctyl)-methylsilane?
The IUPAC name of dichloro-(8-isocyanatooctyl)-methylsilane (CID 87681693) is dichloro-(8-isocyanatooctyl)-methylsilane.
What is the SMILES notation for dichloro-(8-isocyanatooctyl)-methylsilane?
The canonical SMILES for dichloro-(8-isocyanatooctyl)-methylsilane is C[Si](Cl)(Cl)CCCCCCCCN=C=O.
What is the InChIKey of dichloro-(8-isocyanatooctyl)-methylsilane?
The InChIKey is SOZQDULZWIZSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl2NOSi/c1-15(11,12)9-7-5-3-2-4-6-8-13-10-14/h2-9H2,1H3.
What are the key properties of dichloro-(8-isocyanatooctyl)-methylsilane?
dichloro-(8-isocyanatooctyl)-methylsilane has a molecular weight of 268.26 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(8-isocyanatooctyl)-methylsilane is sourced from PubChem (CID 87681693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).