3-tri(propan-2-yl)silylpropyl but-2-enoate

C16H32O2Si — CID 91430273

IUPAC3-tri(propan-2-yl)silylpropyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32O2Si/c1-8-10-16(17)18-11-9-12-19(13(2)3,14(4)5)15(6)7/h8,10,13-15H,9,11-12H2,1-7H3
InChIKeyGRYAJCTZEXJMRO-UHFFFAOYSA-N
MW284.52 g/mol
LogP5.17
Rot. Bonds8

About 3-tri(propan-2-yl)silylpropyl but-2-enoate

3-tri(propan-2-yl)silylpropyl but-2-enoate (PubChem CID 91430273) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 3-tri(propan-2-yl)silylpropyl but-2-enoate.

Molecular Properties

Compound Name3-tri(propan-2-yl)silylpropyl but-2-enoate
PubChem CID91430273
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name3-tri(propan-2-yl)silylpropyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32O2Si/c1-8-10-16(17)18-11-9-12-19(13(2)3,14(4)5)15(6)7/h8,10,13-15H,9,11-12H2,1-7H3
InChIKeyGRYAJCTZEXJMRO-UHFFFAOYSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

(Z)-4-oxo-4-[5-tri(propan-2-yl)silylpentoxy]but-2-enoic acid
CID 87900135
3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate
CID 57318763
hydroxysilane;3-trimethoxysilylpropyl but-2-enoate
CID 174908985
4-hydroxypentyl (E)-but-2-enoate
CID 88654107
3-triacetyloxysilylpropyl but-2-enoate
CID 57008855
5-[chloro(dimethyl)silyl]pentyl but-2-enoate
CID 174106073
9-tri(propan-2-yloxy)silylnonyl but-2-enoate
CID 174208897
4-trifluorosilylbutyl but-2-enoate
CID 174106149
3-methylbutyl (Z)-but-2-enoate
CID 93481892
3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
CID 141411136
3-[tris(2-methoxyethoxy)silyl]propyl but-2-enoate
CID 57295755
4-[fluoro(dimethyl)silyl]butyl but-2-enoate
CID 174106106

Frequently Asked Questions

What is the IUPAC name of 3-tri(propan-2-yl)silylpropyl but-2-enoate?
The IUPAC name of 3-tri(propan-2-yl)silylpropyl but-2-enoate (CID 91430273) is 3-tri(propan-2-yl)silylpropyl but-2-enoate.
What is the SMILES notation for 3-tri(propan-2-yl)silylpropyl but-2-enoate?
The canonical SMILES for 3-tri(propan-2-yl)silylpropyl but-2-enoate is CC=CC(=O)OCCC[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-tri(propan-2-yl)silylpropyl but-2-enoate?
The InChIKey is GRYAJCTZEXJMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-8-10-16(17)18-11-9-12-19(13(2)3,14(4)5)15(6)7/h8,10,13-15H,9,11-12H2,1-7H3.
What are the key properties of 3-tri(propan-2-yl)silylpropyl but-2-enoate?
3-tri(propan-2-yl)silylpropyl but-2-enoate has a molecular weight of 284.52 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tri(propan-2-yl)silylpropyl but-2-enoate is sourced from PubChem (CID 91430273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).