3-tri(propan-2-yl)silyloxypropanoic acid

C12H26O3Si — CID 11637368

IUPAC3-tri(propan-2-yl)silyloxypropanoic acid
SMILESCC(C)[Si](OCCC(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C12H26O3Si/c1-9(2)16(10(3)4,11(5)6)15-8-7-12(13)14/h9-11H,7-8H2,1-6H3,(H,13,14)
InChIKeyJODHGHNSDIUZGD-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.65
Rot. Bonds7

About 3-tri(propan-2-yl)silyloxypropanoic acid

3-tri(propan-2-yl)silyloxypropanoic acid (PubChem CID 11637368) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is 3-tri(propan-2-yl)silyloxypropanoic acid.

Molecular Properties

Compound Name3-tri(propan-2-yl)silyloxypropanoic acid
PubChem CID11637368
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name3-tri(propan-2-yl)silyloxypropanoic acid
SMILESCC(C)[Si](OCCC(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C12H26O3Si/c1-9(2)16(10(3)4,11(5)6)15-8-7-12(13)14/h9-11H,7-8H2,1-6H3,(H,13,14)
InChIKeyJODHGHNSDIUZGD-UHFFFAOYSA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-tri(propan-2-yl)silyloxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tri(propan-2-yl)silyloxypropanoic acid?
The IUPAC name of 3-tri(propan-2-yl)silyloxypropanoic acid (CID 11637368) is 3-tri(propan-2-yl)silyloxypropanoic acid.
What is the SMILES notation for 3-tri(propan-2-yl)silyloxypropanoic acid?
The canonical SMILES for 3-tri(propan-2-yl)silyloxypropanoic acid is CC(C)[Si](OCCC(=O)O)(C(C)C)C(C)C.
What is the InChIKey of 3-tri(propan-2-yl)silyloxypropanoic acid?
The InChIKey is JODHGHNSDIUZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-9(2)16(10(3)4,11(5)6)15-8-7-12(13)14/h9-11H,7-8H2,1-6H3,(H,13,14).
What are the key properties of 3-tri(propan-2-yl)silyloxypropanoic acid?
3-tri(propan-2-yl)silyloxypropanoic acid has a molecular weight of 246.42 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tri(propan-2-yl)silyloxypropanoic acid is sourced from PubChem (CID 11637368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).