propyl 2-(2-dimethylsilyloxan-2-yl)but-2-enoate

C14H26O3Si — CID 173235158

IUPACpropyl 2-(2-dimethylsilyloxan-2-yl)but-2-enoate
SMILESCC=C(C(=O)OCCC)C1([SiH](C)C)CCCCO1
InChIInChI=1S/C14H26O3Si/c1-5-10-16-13(15)12(6-2)14(18(3)4)9-7-8-11-17-14/h6,18H,5,7-11H2,1-4H3
InChIKeyGRRDTUAMNKUJJV-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.85
Rot. Bonds5

About propyl 2-(2-dimethylsilyloxan-2-yl)but-2-enoate

propyl 2-(2-dimethylsilyloxan-2-yl)but-2-enoate (PubChem CID 173235158) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is propyl 2-(2-dimethylsilyloxan-2-yl)but-2-enoate.

Molecular Properties

Compound Namepropyl 2-(2-dimethylsilyloxan-2-yl)but-2-enoate
PubChem CID173235158
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Namepropyl 2-(2-dimethylsilyloxan-2-yl)but-2-enoate
SMILESCC=C(C(=O)OCCC)C1([SiH](C)C)CCCCO1
InChIInChI=1S/C14H26O3Si/c1-5-10-16-13(15)12(6-2)14(18(3)4)9-7-8-11-17-14/h6,18H,5,7-11H2,1-4H3
InChIKeyGRRDTUAMNKUJJV-UHFFFAOYSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze propyl 2-(2-dimethylsilyloxan-2-yl)but-2-enoate 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 propyl 2-(2-dimethylsilyloxan-2-yl)but-2-enoate?
The IUPAC name of propyl 2-(2-dimethylsilyloxan-2-yl)but-2-enoate (CID 173235158) is propyl 2-(2-dimethylsilyloxan-2-yl)but-2-enoate.
What is the SMILES notation for propyl 2-(2-dimethylsilyloxan-2-yl)but-2-enoate?
The canonical SMILES for propyl 2-(2-dimethylsilyloxan-2-yl)but-2-enoate is CC=C(C(=O)OCCC)C1([SiH](C)C)CCCCO1.
What is the InChIKey of propyl 2-(2-dimethylsilyloxan-2-yl)but-2-enoate?
The InChIKey is GRRDTUAMNKUJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-5-10-16-13(15)12(6-2)14(18(3)4)9-7-8-11-17-14/h6,18H,5,7-11H2,1-4H3.
What are the key properties of propyl 2-(2-dimethylsilyloxan-2-yl)but-2-enoate?
propyl 2-(2-dimethylsilyloxan-2-yl)but-2-enoate has a molecular weight of 270.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2-dimethylsilyloxan-2-yl)but-2-enoate is sourced from PubChem (CID 173235158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).