ethyl 2-tri(propan-2-yl)silylhexa-2,3-dienoate

C17H32O2Si — CID 25185481

IUPACethyl 2-tri(propan-2-yl)silylhexa-2,3-dienoate
SMILESCCC=C=C(C(=O)OCC)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32O2Si/c1-9-11-12-16(17(18)19-10-2)20(13(3)4,14(5)6)15(7)8/h11,13-15H,9-10H2,1-8H3
InChIKeyXMHPSHSAUOLOFP-UHFFFAOYSA-N
MW296.53 g/mol
LogP5.26
Rot. Bonds7

About ethyl 2-tri(propan-2-yl)silylhexa-2,3-dienoate

ethyl 2-tri(propan-2-yl)silylhexa-2,3-dienoate (PubChem CID 25185481) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is ethyl 2-tri(propan-2-yl)silylhexa-2,3-dienoate.

Molecular Properties

Compound Nameethyl 2-tri(propan-2-yl)silylhexa-2,3-dienoate
PubChem CID25185481
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Nameethyl 2-tri(propan-2-yl)silylhexa-2,3-dienoate
SMILESCCC=C=C(C(=O)OCC)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32O2Si/c1-9-11-12-16(17(18)19-10-2)20(13(3)4,14(5)6)15(7)8/h11,13-15H,9-10H2,1-8H3
InChIKeyXMHPSHSAUOLOFP-UHFFFAOYSA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 2-tri(propan-2-yl)silylhexa-2,3-dienoate 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 ethyl 2-tri(propan-2-yl)silylhexa-2,3-dienoate?
The IUPAC name of ethyl 2-tri(propan-2-yl)silylhexa-2,3-dienoate (CID 25185481) is ethyl 2-tri(propan-2-yl)silylhexa-2,3-dienoate.
What is the SMILES notation for ethyl 2-tri(propan-2-yl)silylhexa-2,3-dienoate?
The canonical SMILES for ethyl 2-tri(propan-2-yl)silylhexa-2,3-dienoate is CCC=C=C(C(=O)OCC)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethyl 2-tri(propan-2-yl)silylhexa-2,3-dienoate?
The InChIKey is XMHPSHSAUOLOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-9-11-12-16(17(18)19-10-2)20(13(3)4,14(5)6)15(7)8/h11,13-15H,9-10H2,1-8H3.
What are the key properties of ethyl 2-tri(propan-2-yl)silylhexa-2,3-dienoate?
ethyl 2-tri(propan-2-yl)silylhexa-2,3-dienoate has a molecular weight of 296.53 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-tri(propan-2-yl)silylhexa-2,3-dienoate is sourced from PubChem (CID 25185481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).