5-[ethyl-(3-hydroxypropyl)-propoxysilyl]oxyhept-2-en-4-one

C15H30O4Si — CID 141107012

IUPAC5-[ethyl-(3-hydroxypropyl)-propoxysilyl]oxyhept-2-en-4-one
SMILESCC=CC(=O)C(CC)O[Si](CC)(CCCO)OCCC
InChIInChI=1S/C15H30O4Si/c1-5-10-14(17)15(7-3)19-20(8-4,13-9-11-16)18-12-6-2/h5,10,15-16H,6-9,11-13H2,1-4H3
InChIKeyFMIBSGVIKFEORC-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.20
Rot. Bonds12

About 5-[ethyl-(3-hydroxypropyl)-propoxysilyl]oxyhept-2-en-4-one

5-[ethyl-(3-hydroxypropyl)-propoxysilyl]oxyhept-2-en-4-one (PubChem CID 141107012) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 5-[ethyl-(3-hydroxypropyl)-propoxysilyl]oxyhept-2-en-4-one.

Molecular Properties

Compound Name5-[ethyl-(3-hydroxypropyl)-propoxysilyl]oxyhept-2-en-4-one
PubChem CID141107012
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name5-[ethyl-(3-hydroxypropyl)-propoxysilyl]oxyhept-2-en-4-one
SMILESCC=CC(=O)C(CC)O[Si](CC)(CCCO)OCCC
InChIInChI=1S/C15H30O4Si/c1-5-10-14(17)15(7-3)19-20(8-4,13-9-11-16)18-12-6-2/h5,10,15-16H,6-9,11-13H2,1-4H3
InChIKeyFMIBSGVIKFEORC-UHFFFAOYSA-N
XLogP3.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[ethyl-(3-hydroxypropyl)-propoxysilyl]oxyhept-2-en-4-one 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 5-[ethyl-(3-hydroxypropyl)-propoxysilyl]oxyhept-2-en-4-one?
The IUPAC name of 5-[ethyl-(3-hydroxypropyl)-propoxysilyl]oxyhept-2-en-4-one (CID 141107012) is 5-[ethyl-(3-hydroxypropyl)-propoxysilyl]oxyhept-2-en-4-one.
What is the SMILES notation for 5-[ethyl-(3-hydroxypropyl)-propoxysilyl]oxyhept-2-en-4-one?
The canonical SMILES for 5-[ethyl-(3-hydroxypropyl)-propoxysilyl]oxyhept-2-en-4-one is CC=CC(=O)C(CC)O[Si](CC)(CCCO)OCCC.
What is the InChIKey of 5-[ethyl-(3-hydroxypropyl)-propoxysilyl]oxyhept-2-en-4-one?
The InChIKey is FMIBSGVIKFEORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-5-10-14(17)15(7-3)19-20(8-4,13-9-11-16)18-12-6-2/h5,10,15-16H,6-9,11-13H2,1-4H3.
What are the key properties of 5-[ethyl-(3-hydroxypropyl)-propoxysilyl]oxyhept-2-en-4-one?
5-[ethyl-(3-hydroxypropyl)-propoxysilyl]oxyhept-2-en-4-one has a molecular weight of 302.49 g/mol, XLogP of 3.20, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-(3-hydroxypropyl)-propoxysilyl]oxyhept-2-en-4-one is sourced from PubChem (CID 141107012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).