tri(propan-2-yl)silyl pent-4-enoate

C14H28O2Si — CID 10735566

IUPACtri(propan-2-yl)silyl pent-4-enoate
SMILESC=CCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28O2Si/c1-8-9-10-14(15)16-17(11(2)3,12(4)5)13(6)7/h8,11-13H,1,9-10H2,2-7H3
InChIKeyWBIJBAGXWLHGNA-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.67
Rot. Bonds7

About tri(propan-2-yl)silyl pent-4-enoate

tri(propan-2-yl)silyl pent-4-enoate (PubChem CID 10735566) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is tri(propan-2-yl)silyl pent-4-enoate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl pent-4-enoate
PubChem CID10735566
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametri(propan-2-yl)silyl pent-4-enoate
SMILESC=CCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28O2Si/c1-8-9-10-14(15)16-17(11(2)3,12(4)5)13(6)7/h8,11-13H,1,9-10H2,2-7H3
InChIKeyWBIJBAGXWLHGNA-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tri(propan-2-yl)silyl pent-4-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 tri(propan-2-yl)silyl pent-4-enoate?
The IUPAC name of tri(propan-2-yl)silyl pent-4-enoate (CID 10735566) is tri(propan-2-yl)silyl pent-4-enoate.
What is the SMILES notation for tri(propan-2-yl)silyl pent-4-enoate?
The canonical SMILES for tri(propan-2-yl)silyl pent-4-enoate is C=CCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl pent-4-enoate?
The InChIKey is WBIJBAGXWLHGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-8-9-10-14(15)16-17(11(2)3,12(4)5)13(6)7/h8,11-13H,1,9-10H2,2-7H3.
What are the key properties of tri(propan-2-yl)silyl pent-4-enoate?
tri(propan-2-yl)silyl pent-4-enoate has a molecular weight of 256.46 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl pent-4-enoate is sourced from PubChem (CID 10735566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).