trimethyl propan-2-yl silicate

C6H16O4Si — CID 20532943

IUPACtrimethyl propan-2-yl silicate
SMILESCO[Si](OC)(OC)OC(C)C
InChIInChI=1S/C6H16O4Si/c1-6(2)10-11(7-3,8-4)9-5/h6H,1-5H3
InChIKeyCHUAQURBBLLEGO-UHFFFAOYSA-N
MW180.28 g/mol
LogP0.79
Rot. Bonds5

About trimethyl propan-2-yl silicate

trimethyl propan-2-yl silicate (PubChem CID 20532943) has the molecular formula C6H16O4Si and a molecular weight of 180.28 g/mol. Its IUPAC name is trimethyl propan-2-yl silicate.

Molecular Properties

Compound Nametrimethyl propan-2-yl silicate
PubChem CID20532943
Molecular FormulaC6H16O4Si
Molecular Weight180.28 g/mol
Exact Mass180.08
IUPAC Nametrimethyl propan-2-yl silicate
SMILESCO[Si](OC)(OC)OC(C)C
InChIInChI=1S/C6H16O4Si/c1-6(2)10-11(7-3,8-4)9-5/h6H,1-5H3
InChIKeyCHUAQURBBLLEGO-UHFFFAOYSA-N
XLogP0.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 trimethyl propan-2-yl silicate?
The IUPAC name of trimethyl propan-2-yl silicate (CID 20532943) is trimethyl propan-2-yl silicate.
What is the SMILES notation for trimethyl propan-2-yl silicate?
The canonical SMILES for trimethyl propan-2-yl silicate is CO[Si](OC)(OC)OC(C)C.
What is the InChIKey of trimethyl propan-2-yl silicate?
The InChIKey is CHUAQURBBLLEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O4Si/c1-6(2)10-11(7-3,8-4)9-5/h6H,1-5H3.
What are the key properties of trimethyl propan-2-yl silicate?
trimethyl propan-2-yl silicate has a molecular weight of 180.28 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl propan-2-yl silicate is sourced from PubChem (CID 20532943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).