[4-(isocyanatomethyl)cyclohexyl]-dimethoxy-methylsilane

C11H21NO3Si — CID 59576147

IUPAC[4-(isocyanatomethyl)cyclohexyl]-dimethoxy-methylsilane
SMILESCO[Si](C)(OC)C1CCC(CN=C=O)CC1
InChIInChI=1S/C11H21NO3Si/c1-14-16(3,15-2)11-6-4-10(5-7-11)8-12-9-13/h10-11H,4-8H2,1-3H3
InChIKeyHFKYDNLTGXUYLY-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.25
Rot. Bonds5

About [4-(isocyanatomethyl)cyclohexyl]-dimethoxy-methylsilane

[4-(isocyanatomethyl)cyclohexyl]-dimethoxy-methylsilane (PubChem CID 59576147) has the molecular formula C11H21NO3Si and a molecular weight of 243.38 g/mol. Its IUPAC name is [4-(isocyanatomethyl)cyclohexyl]-dimethoxy-methylsilane.

Molecular Properties

Compound Name[4-(isocyanatomethyl)cyclohexyl]-dimethoxy-methylsilane
PubChem CID59576147
Molecular FormulaC11H21NO3Si
Molecular Weight243.38 g/mol
Exact Mass243.13
IUPAC Name[4-(isocyanatomethyl)cyclohexyl]-dimethoxy-methylsilane
SMILESCO[Si](C)(OC)C1CCC(CN=C=O)CC1
InChIInChI=1S/C11H21NO3Si/c1-14-16(3,15-2)11-6-4-10(5-7-11)8-12-9-13/h10-11H,4-8H2,1-3H3
InChIKeyHFKYDNLTGXUYLY-UHFFFAOYSA-N
XLogP2.25
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(isocyanatomethyl)cyclohexyl]-dimethoxy-methylsilane?
The IUPAC name of [4-(isocyanatomethyl)cyclohexyl]-dimethoxy-methylsilane (CID 59576147) is [4-(isocyanatomethyl)cyclohexyl]-dimethoxy-methylsilane.
What is the SMILES notation for [4-(isocyanatomethyl)cyclohexyl]-dimethoxy-methylsilane?
The canonical SMILES for [4-(isocyanatomethyl)cyclohexyl]-dimethoxy-methylsilane is CO[Si](C)(OC)C1CCC(CN=C=O)CC1.
What is the InChIKey of [4-(isocyanatomethyl)cyclohexyl]-dimethoxy-methylsilane?
The InChIKey is HFKYDNLTGXUYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3Si/c1-14-16(3,15-2)11-6-4-10(5-7-11)8-12-9-13/h10-11H,4-8H2,1-3H3.
What are the key properties of [4-(isocyanatomethyl)cyclohexyl]-dimethoxy-methylsilane?
[4-(isocyanatomethyl)cyclohexyl]-dimethoxy-methylsilane has a molecular weight of 243.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(isocyanatomethyl)cyclohexyl]-dimethoxy-methylsilane is sourced from PubChem (CID 59576147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).