3-[chloro(diethoxy)silyl]propyl but-2-enoate

C11H21ClO4Si — CID 90871335

IUPAC3-[chloro(diethoxy)silyl]propyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](Cl)(OCC)OCC
InChIInChI=1S/C11H21ClO4Si/c1-4-8-11(13)14-9-7-10-17(12,15-5-2)16-6-3/h4,8H,5-7,9-10H2,1-3H3
InChIKeyNQGMQHBICCFXBM-UHFFFAOYSA-N
MW280.82 g/mol
LogP2.75
Rot. Bonds9

About 3-[chloro(diethoxy)silyl]propyl but-2-enoate

3-[chloro(diethoxy)silyl]propyl but-2-enoate (PubChem CID 90871335) has the molecular formula C11H21ClO4Si and a molecular weight of 280.82 g/mol. Its IUPAC name is 3-[chloro(diethoxy)silyl]propyl but-2-enoate.

Molecular Properties

Compound Name3-[chloro(diethoxy)silyl]propyl but-2-enoate
PubChem CID90871335
Molecular FormulaC11H21ClO4Si
Molecular Weight280.82 g/mol
Exact Mass280.09
IUPAC Name3-[chloro(diethoxy)silyl]propyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](Cl)(OCC)OCC
InChIInChI=1S/C11H21ClO4Si/c1-4-8-11(13)14-9-7-10-17(12,15-5-2)16-6-3/h4,8H,5-7,9-10H2,1-3H3
InChIKeyNQGMQHBICCFXBM-UHFFFAOYSA-N
XLogP2.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[chloro(diethoxy)silyl]propyl acetate
CID 87213804
7-trichlorosilylheptyl but-2-enoate
CID 174106010
13-trichlorosilyltridecyl but-2-enoate
CID 174106076
9-trichlorosilylnonyl but-2-enoate
CID 174105776
14-trichlorosilyltetradecyl but-2-enoate
CID 174106042
8-trichlorosilyloctyl but-2-enoate
CID 174105922
3-[3-but-2-enoyloxypropyl(dibutoxy)silyl]propyl but-2-enoate
CID 57093696
bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
CID 140673134
5-[chloro(dimethyl)silyl]pentyl but-2-enoate
CID 174106073
3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate
CID 57318763
3-[tris(2-methoxyethoxy)silyl]propyl but-2-enoate
CID 57295755
3-trioctoxysilylpropyl but-2-enoate
CID 57136236

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(diethoxy)silyl]propyl but-2-enoate?
The IUPAC name of 3-[chloro(diethoxy)silyl]propyl but-2-enoate (CID 90871335) is 3-[chloro(diethoxy)silyl]propyl but-2-enoate.
What is the SMILES notation for 3-[chloro(diethoxy)silyl]propyl but-2-enoate?
The canonical SMILES for 3-[chloro(diethoxy)silyl]propyl but-2-enoate is CC=CC(=O)OCCC[Si](Cl)(OCC)OCC.
What is the InChIKey of 3-[chloro(diethoxy)silyl]propyl but-2-enoate?
The InChIKey is NQGMQHBICCFXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO4Si/c1-4-8-11(13)14-9-7-10-17(12,15-5-2)16-6-3/h4,8H,5-7,9-10H2,1-3H3.
What are the key properties of 3-[chloro(diethoxy)silyl]propyl but-2-enoate?
3-[chloro(diethoxy)silyl]propyl but-2-enoate has a molecular weight of 280.82 g/mol, XLogP of 2.75, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(diethoxy)silyl]propyl but-2-enoate is sourced from PubChem (CID 90871335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).