2-cyclohexylpropan-2-yl(trimethoxy)silane

C12H26O3Si — CID 22365052

IUPAC2-cyclohexylpropan-2-yl(trimethoxy)silane
SMILESCO[Si](OC)(OC)C(C)(C)C1CCCCC1
InChIInChI=1S/C12H26O3Si/c1-12(2,11-9-7-6-8-10-11)16(13-3,14-4)15-5/h11H,6-10H2,1-5H3
InChIKeyPCBJJITYMDRUTN-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.22
Rot. Bonds5

About 2-cyclohexylpropan-2-yl(trimethoxy)silane

2-cyclohexylpropan-2-yl(trimethoxy)silane (PubChem CID 22365052) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is 2-cyclohexylpropan-2-yl(trimethoxy)silane.

Molecular Properties

Compound Name2-cyclohexylpropan-2-yl(trimethoxy)silane
PubChem CID22365052
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name2-cyclohexylpropan-2-yl(trimethoxy)silane
SMILESCO[Si](OC)(OC)C(C)(C)C1CCCCC1
InChIInChI=1S/C12H26O3Si/c1-12(2,11-9-7-6-8-10-11)16(13-3,14-4)15-5/h11H,6-10H2,1-5H3
InChIKeyPCBJJITYMDRUTN-UHFFFAOYSA-N
XLogP3.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.22
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 2-cyclohexylpropan-2-yl(trimethoxy)silane?
The IUPAC name of 2-cyclohexylpropan-2-yl(trimethoxy)silane (CID 22365052) is 2-cyclohexylpropan-2-yl(trimethoxy)silane.
What is the SMILES notation for 2-cyclohexylpropan-2-yl(trimethoxy)silane?
The canonical SMILES for 2-cyclohexylpropan-2-yl(trimethoxy)silane is CO[Si](OC)(OC)C(C)(C)C1CCCCC1.
What is the InChIKey of 2-cyclohexylpropan-2-yl(trimethoxy)silane?
The InChIKey is PCBJJITYMDRUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-12(2,11-9-7-6-8-10-11)16(13-3,14-4)15-5/h11H,6-10H2,1-5H3.
What are the key properties of 2-cyclohexylpropan-2-yl(trimethoxy)silane?
2-cyclohexylpropan-2-yl(trimethoxy)silane has a molecular weight of 246.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpropan-2-yl(trimethoxy)silane is sourced from PubChem (CID 22365052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).