[amino-(diethoxymethyl)-methylsilyl]cyclohexane

C12H27NO2Si — CID 175320910

IUPAC[amino-(diethoxymethyl)-methylsilyl]cyclohexane
SMILESCCOC(OCC)[Si](C)(N)C1CCCCC1
InChIInChI=1S/C12H27NO2Si/c1-4-14-12(15-5-2)16(3,13)11-9-7-6-8-10-11/h11-12H,4-10,13H2,1-3H3
InChIKeyMUQITVTVPZQXDF-UHFFFAOYSA-N
MW245.44 g/mol
LogP2.79
Rot. Bonds6

About [amino-(diethoxymethyl)-methylsilyl]cyclohexane

[amino-(diethoxymethyl)-methylsilyl]cyclohexane (PubChem CID 175320910) has the molecular formula C12H27NO2Si and a molecular weight of 245.44 g/mol. Its IUPAC name is [amino-(diethoxymethyl)-methylsilyl]cyclohexane.

Molecular Properties

Compound Name[amino-(diethoxymethyl)-methylsilyl]cyclohexane
PubChem CID175320910
Molecular FormulaC12H27NO2Si
Molecular Weight245.44 g/mol
Exact Mass245.18
IUPAC Name[amino-(diethoxymethyl)-methylsilyl]cyclohexane
SMILESCCOC(OCC)[Si](C)(N)C1CCCCC1
InChIInChI=1S/C12H27NO2Si/c1-4-14-12(15-5-2)16(3,13)11-9-7-6-8-10-11/h11-12H,4-10,13H2,1-3H3
InChIKeyMUQITVTVPZQXDF-UHFFFAOYSA-N
XLogP2.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino-(diethoxymethyl)-methylsilyl]cyclohexane?
The IUPAC name of [amino-(diethoxymethyl)-methylsilyl]cyclohexane (CID 175320910) is [amino-(diethoxymethyl)-methylsilyl]cyclohexane.
What is the SMILES notation for [amino-(diethoxymethyl)-methylsilyl]cyclohexane?
The canonical SMILES for [amino-(diethoxymethyl)-methylsilyl]cyclohexane is CCOC(OCC)[Si](C)(N)C1CCCCC1.
What is the InChIKey of [amino-(diethoxymethyl)-methylsilyl]cyclohexane?
The InChIKey is MUQITVTVPZQXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2Si/c1-4-14-12(15-5-2)16(3,13)11-9-7-6-8-10-11/h11-12H,4-10,13H2,1-3H3.
What are the key properties of [amino-(diethoxymethyl)-methylsilyl]cyclohexane?
[amino-(diethoxymethyl)-methylsilyl]cyclohexane has a molecular weight of 245.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(diethoxymethyl)-methylsilyl]cyclohexane is sourced from PubChem (CID 175320910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).