3-[di(propan-2-yloxy)methylsilyl]-2-methylidenepentanoic acid

C13H26O4Si — CID 173154207

IUPAC3-[di(propan-2-yloxy)methylsilyl]-2-methylidenepentanoic acid
SMILESC=C(C(=O)O)C(CC)[SiH2]C(OC(C)C)OC(C)C
InChIInChI=1S/C13H26O4Si/c1-7-11(10(6)12(14)15)18-13(16-8(2)3)17-9(4)5/h8-9,11,13H,6-7,18H2,1-5H3,(H,14,15)
InChIKeyYQYYPLWDKDUIQR-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.13
Rot. Bonds9

About 3-[di(propan-2-yloxy)methylsilyl]-2-methylidenepentanoic acid

3-[di(propan-2-yloxy)methylsilyl]-2-methylidenepentanoic acid (PubChem CID 173154207) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 3-[di(propan-2-yloxy)methylsilyl]-2-methylidenepentanoic acid.

Molecular Properties

Compound Name3-[di(propan-2-yloxy)methylsilyl]-2-methylidenepentanoic acid
PubChem CID173154207
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name3-[di(propan-2-yloxy)methylsilyl]-2-methylidenepentanoic acid
SMILESC=C(C(=O)O)C(CC)[SiH2]C(OC(C)C)OC(C)C
InChIInChI=1S/C13H26O4Si/c1-7-11(10(6)12(14)15)18-13(16-8(2)3)17-9(4)5/h8-9,11,13H,6-7,18H2,1-5H3,(H,14,15)
InChIKeyYQYYPLWDKDUIQR-UHFFFAOYSA-N
XLogP2.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[di(propan-2-yloxy)methylsilyl]-2-methylidenepentanoic 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-[di(propan-2-yloxy)methylsilyl]-2-methylidenepentanoic acid?
The IUPAC name of 3-[di(propan-2-yloxy)methylsilyl]-2-methylidenepentanoic acid (CID 173154207) is 3-[di(propan-2-yloxy)methylsilyl]-2-methylidenepentanoic acid.
What is the SMILES notation for 3-[di(propan-2-yloxy)methylsilyl]-2-methylidenepentanoic acid?
The canonical SMILES for 3-[di(propan-2-yloxy)methylsilyl]-2-methylidenepentanoic acid is C=C(C(=O)O)C(CC)[SiH2]C(OC(C)C)OC(C)C.
What is the InChIKey of 3-[di(propan-2-yloxy)methylsilyl]-2-methylidenepentanoic acid?
The InChIKey is YQYYPLWDKDUIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-7-11(10(6)12(14)15)18-13(16-8(2)3)17-9(4)5/h8-9,11,13H,6-7,18H2,1-5H3,(H,14,15).
What are the key properties of 3-[di(propan-2-yloxy)methylsilyl]-2-methylidenepentanoic acid?
3-[di(propan-2-yloxy)methylsilyl]-2-methylidenepentanoic acid has a molecular weight of 274.43 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yloxy)methylsilyl]-2-methylidenepentanoic acid is sourced from PubChem (CID 173154207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).