propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)prop-2-enoate

C15H32O3Si3 — CID 175575645

IUPACpropyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)prop-2-enoate
SMILESCCCOC(=O)C=C[Si]1(C)OC(C)(C)C[Si](C)(C)[Si]1(C)C
InChIInChI=1S/C15H32O3Si3/c1-9-11-17-14(16)10-12-21(8)18-15(2,3)13-19(4,5)20(21,6)7/h10,12H,9,11,13H2,1-8H3
InChIKeyKPOCYUJOMRKWBR-UHFFFAOYSA-N
MW344.68 g/mol
LogP3.99
Rot. Bonds4

About propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)prop-2-enoate

propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)prop-2-enoate (PubChem CID 175575645) has the molecular formula C15H32O3Si3 and a molecular weight of 344.68 g/mol. Its IUPAC name is propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)prop-2-enoate.

Molecular Properties

Compound Namepropyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)prop-2-enoate
PubChem CID175575645
Molecular FormulaC15H32O3Si3
Molecular Weight344.68 g/mol
Exact Mass344.17
IUPAC Namepropyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)prop-2-enoate
SMILESCCCOC(=O)C=C[Si]1(C)OC(C)(C)C[Si](C)(C)[Si]1(C)C
InChIInChI=1S/C15H32O3Si3/c1-9-11-17-14(16)10-12-21(8)18-15(2,3)13-19(4,5)20(21,6)7/h10,12H,9,11,13H2,1-8H3
InChIKeyKPOCYUJOMRKWBR-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 53.99
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 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)prop-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

Related Compounds

propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)-2-methylprop-2-enoate
CID 175474967
propyl 3-aminoprop-2-enoate
CID 154061664
strontium bis((E)-4-oxo-4-propoxybut-2-enoate)
CID 11524184
1-O-propyl 4-O-silyl but-2-enedioate
CID 154277223
4-O-[2-(1-adamantyl)ethyl] 1-O-propyl (E)-but-2-enedioate
CID 91715223
bis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate
CID 67882288
CID 57489595
CID 57489595
butane;dibutyl (Z)-but-2-enedioate;λ2-stannane
CID 173106858
propyl (E)-3-cyclopentylprop-2-enoate
CID 10679014
propyl (E)-4-oxo-4-[4-[[(E)-4-oxo-4-propoxybut-2-enoyl]amino]butylamino]but-2-enoate
CID 11793380
propyl 3-(ethylamino)prop-2-enoate
CID 141042047
propyl 3-(methylamino)prop-2-enoate;hydrochloride
CID 141042044

Frequently Asked Questions

What is the IUPAC name of propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)prop-2-enoate?
The IUPAC name of propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)prop-2-enoate (CID 175575645) is propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)prop-2-enoate.
What is the SMILES notation for propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)prop-2-enoate?
The canonical SMILES for propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)prop-2-enoate is CCCOC(=O)C=C[Si]1(C)OC(C)(C)C[Si](C)(C)[Si]1(C)C.
What is the InChIKey of propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)prop-2-enoate?
The InChIKey is KPOCYUJOMRKWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3Si3/c1-9-11-17-14(16)10-12-21(8)18-15(2,3)13-19(4,5)20(21,6)7/h10,12H,9,11,13H2,1-8H3.
What are the key properties of propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)prop-2-enoate?
propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)prop-2-enoate has a molecular weight of 344.68 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)prop-2-enoate is sourced from PubChem (CID 175575645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).