(3-ethyl-2,3-dimethylpentan-2-yl)-trimethoxysilane

C12H28O3Si — CID 18696437

IUPAC(3-ethyl-2,3-dimethylpentan-2-yl)-trimethoxysilane
SMILESCCC(C)(CC)C(C)(C)[Si](OC)(OC)OC
InChIInChI=1S/C12H28O3Si/c1-9-12(5,10-2)11(3,4)16(13-6,14-7)15-8/h9-10H2,1-8H3
InChIKeyMTGYHWOHJRZDID-UHFFFAOYSA-N
MW248.44 g/mol
LogP3.47
Rot. Bonds7

About (3-ethyl-2,3-dimethylpentan-2-yl)-trimethoxysilane

(3-ethyl-2,3-dimethylpentan-2-yl)-trimethoxysilane (PubChem CID 18696437) has the molecular formula C12H28O3Si and a molecular weight of 248.44 g/mol. Its IUPAC name is (3-ethyl-2,3-dimethylpentan-2-yl)-trimethoxysilane.

Molecular Properties

Compound Name(3-ethyl-2,3-dimethylpentan-2-yl)-trimethoxysilane
PubChem CID18696437
Molecular FormulaC12H28O3Si
Molecular Weight248.44 g/mol
Exact Mass248.18
IUPAC Name(3-ethyl-2,3-dimethylpentan-2-yl)-trimethoxysilane
SMILESCCC(C)(CC)C(C)(C)[Si](OC)(OC)OC
InChIInChI=1S/C12H28O3Si/c1-9-12(5,10-2)11(3,4)16(13-6,14-7)15-8/h9-10H2,1-8H3
InChIKeyMTGYHWOHJRZDID-UHFFFAOYSA-N
XLogP3.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2,3-dimethylpentan-2-yl)-trimethoxysilane?
The IUPAC name of (3-ethyl-2,3-dimethylpentan-2-yl)-trimethoxysilane (CID 18696437) is (3-ethyl-2,3-dimethylpentan-2-yl)-trimethoxysilane.
What is the SMILES notation for (3-ethyl-2,3-dimethylpentan-2-yl)-trimethoxysilane?
The canonical SMILES for (3-ethyl-2,3-dimethylpentan-2-yl)-trimethoxysilane is CCC(C)(CC)C(C)(C)[Si](OC)(OC)OC.
What is the InChIKey of (3-ethyl-2,3-dimethylpentan-2-yl)-trimethoxysilane?
The InChIKey is MTGYHWOHJRZDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si/c1-9-12(5,10-2)11(3,4)16(13-6,14-7)15-8/h9-10H2,1-8H3.
What are the key properties of (3-ethyl-2,3-dimethylpentan-2-yl)-trimethoxysilane?
(3-ethyl-2,3-dimethylpentan-2-yl)-trimethoxysilane has a molecular weight of 248.44 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2,3-dimethylpentan-2-yl)-trimethoxysilane is sourced from PubChem (CID 18696437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).