[butyl-di(propan-2-yl)silyl] prop-2-enoate

C13H26O2Si — CID 87900059

IUPAC[butyl-di(propan-2-yl)silyl] prop-2-enoate
SMILESC=CC(=O)O[Si](CCCC)(C(C)C)C(C)C
InChIInChI=1S/C13H26O2Si/c1-7-9-10-16(11(3)4,12(5)6)15-13(14)8-2/h8,11-12H,2,7,9-10H2,1,3-6H3
InChIKeyICINTUUFEKLSPN-UHFFFAOYSA-N
MW242.43 g/mol
LogP4.28
Rot. Bonds7

About [butyl-di(propan-2-yl)silyl] prop-2-enoate

[butyl-di(propan-2-yl)silyl] prop-2-enoate (PubChem CID 87900059) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is [butyl-di(propan-2-yl)silyl] prop-2-enoate.

Molecular Properties

Compound Name[butyl-di(propan-2-yl)silyl] prop-2-enoate
PubChem CID87900059
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name[butyl-di(propan-2-yl)silyl] prop-2-enoate
SMILESC=CC(=O)O[Si](CCCC)(C(C)C)C(C)C
InChIInChI=1S/C13H26O2Si/c1-7-9-10-16(11(3)4,12(5)6)15-13(14)8-2/h8,11-12H,2,7,9-10H2,1,3-6H3
InChIKeyICINTUUFEKLSPN-UHFFFAOYSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.28
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 [butyl-di(propan-2-yl)silyl] 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

[octadecyl-di(propan-2-yl)silyl] prop-2-enoate
CID 87900076
[pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659456
[hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659421
[di(butan-2-yl)-tri(propan-2-yl)silyloxysilyl] prop-2-enoate
CID 87430711
3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate
CID 141179132
[diacetyloxy(butyl)silyl] acetate;prop-2-enamide
CID 158770518
4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate
CID 150064370
(3-ethyl-4-methyloctan-3-yl) prop-2-enoate
CID 164546565
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
heptadecan-8-yl prop-2-enoate
CID 121420657
1-prop-2-enoyloxyheptyl prop-2-enoate
CID 54470865
1-prop-2-enoyloxydocosyl prop-2-enoate
CID 168863323

Frequently Asked Questions

What is the IUPAC name of [butyl-di(propan-2-yl)silyl] prop-2-enoate?
The IUPAC name of [butyl-di(propan-2-yl)silyl] prop-2-enoate (CID 87900059) is [butyl-di(propan-2-yl)silyl] prop-2-enoate.
What is the SMILES notation for [butyl-di(propan-2-yl)silyl] prop-2-enoate?
The canonical SMILES for [butyl-di(propan-2-yl)silyl] prop-2-enoate is C=CC(=O)O[Si](CCCC)(C(C)C)C(C)C.
What is the InChIKey of [butyl-di(propan-2-yl)silyl] prop-2-enoate?
The InChIKey is ICINTUUFEKLSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-7-9-10-16(11(3)4,12(5)6)15-13(14)8-2/h8,11-12H,2,7,9-10H2,1,3-6H3.
What are the key properties of [butyl-di(propan-2-yl)silyl] prop-2-enoate?
[butyl-di(propan-2-yl)silyl] prop-2-enoate has a molecular weight of 242.43 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl-di(propan-2-yl)silyl] prop-2-enoate is sourced from PubChem (CID 87900059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).