(3-ethyl-1,1-dimethoxyheptyl)-methylsilane

C12H28O2Si — CID 173326640

IUPAC(3-ethyl-1,1-dimethoxyheptyl)-methylsilane
SMILESCCCCC(CC)CC(OC)(OC)[SiH2]C
InChIInChI=1S/C12H28O2Si/c1-6-8-9-11(7-2)10-12(13-3,14-4)15-5/h11H,6-10,15H2,1-5H3
InChIKeyFLXQHHTWIZHYOQ-UHFFFAOYSA-N
MW232.44 g/mol
LogP2.76
Rot. Bonds9

About (3-ethyl-1,1-dimethoxyheptyl)-methylsilane

(3-ethyl-1,1-dimethoxyheptyl)-methylsilane (PubChem CID 173326640) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is (3-ethyl-1,1-dimethoxyheptyl)-methylsilane.

Molecular Properties

Compound Name(3-ethyl-1,1-dimethoxyheptyl)-methylsilane
PubChem CID173326640
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Name(3-ethyl-1,1-dimethoxyheptyl)-methylsilane
SMILESCCCCC(CC)CC(OC)(OC)[SiH2]C
InChIInChI=1S/C12H28O2Si/c1-6-8-9-11(7-2)10-12(13-3,14-4)15-5/h11H,6-10,15H2,1-5H3
InChIKeyFLXQHHTWIZHYOQ-UHFFFAOYSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 52.76
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 (3-ethyl-1,1-dimethoxyheptyl)-methylsilane?
The IUPAC name of (3-ethyl-1,1-dimethoxyheptyl)-methylsilane (CID 173326640) is (3-ethyl-1,1-dimethoxyheptyl)-methylsilane.
What is the SMILES notation for (3-ethyl-1,1-dimethoxyheptyl)-methylsilane?
The canonical SMILES for (3-ethyl-1,1-dimethoxyheptyl)-methylsilane is CCCCC(CC)CC(OC)(OC)[SiH2]C.
What is the InChIKey of (3-ethyl-1,1-dimethoxyheptyl)-methylsilane?
The InChIKey is FLXQHHTWIZHYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-6-8-9-11(7-2)10-12(13-3,14-4)15-5/h11H,6-10,15H2,1-5H3.
What are the key properties of (3-ethyl-1,1-dimethoxyheptyl)-methylsilane?
(3-ethyl-1,1-dimethoxyheptyl)-methylsilane has a molecular weight of 232.44 g/mol, XLogP of 2.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,1-dimethoxyheptyl)-methylsilane is sourced from PubChem (CID 173326640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).