(2,2-diethoxy-3-ethylcyclohexyl)-methylsilane

C13H28O2Si — CID 174401826

IUPAC(2,2-diethoxy-3-ethylcyclohexyl)-methylsilane
SMILESCCOC1(OCC)C(CC)CCCC1[SiH2]C
InChIInChI=1S/C13H28O2Si/c1-5-11-9-8-10-12(16-4)13(11,14-6-2)15-7-3/h11-12H,5-10,16H2,1-4H3
InChIKeyXSFHZLAILQLLTE-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.97
Rot. Bonds6

About (2,2-diethoxy-3-ethylcyclohexyl)-methylsilane

(2,2-diethoxy-3-ethylcyclohexyl)-methylsilane (PubChem CID 174401826) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (2,2-diethoxy-3-ethylcyclohexyl)-methylsilane.

Molecular Properties

Compound Name(2,2-diethoxy-3-ethylcyclohexyl)-methylsilane
PubChem CID174401826
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(2,2-diethoxy-3-ethylcyclohexyl)-methylsilane
SMILESCCOC1(OCC)C(CC)CCCC1[SiH2]C
InChIInChI=1S/C13H28O2Si/c1-5-11-9-8-10-12(16-4)13(11,14-6-2)15-7-3/h11-12H,5-10,16H2,1-4H3
InChIKeyXSFHZLAILQLLTE-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2,2-diethoxy-3-ethylcyclohexyl)-methylsilane?
The IUPAC name of (2,2-diethoxy-3-ethylcyclohexyl)-methylsilane (CID 174401826) is (2,2-diethoxy-3-ethylcyclohexyl)-methylsilane.
What is the SMILES notation for (2,2-diethoxy-3-ethylcyclohexyl)-methylsilane?
The canonical SMILES for (2,2-diethoxy-3-ethylcyclohexyl)-methylsilane is CCOC1(OCC)C(CC)CCCC1[SiH2]C.
What is the InChIKey of (2,2-diethoxy-3-ethylcyclohexyl)-methylsilane?
The InChIKey is XSFHZLAILQLLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-5-11-9-8-10-12(16-4)13(11,14-6-2)15-7-3/h11-12H,5-10,16H2,1-4H3.
What are the key properties of (2,2-diethoxy-3-ethylcyclohexyl)-methylsilane?
(2,2-diethoxy-3-ethylcyclohexyl)-methylsilane has a molecular weight of 244.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diethoxy-3-ethylcyclohexyl)-methylsilane is sourced from PubChem (CID 174401826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).