9-tri(propan-2-yloxy)silylnonyl but-2-enoate

C22H44O5Si — CID 174208897

IUPAC9-tri(propan-2-yloxy)silylnonyl but-2-enoate
SMILESCC=CC(=O)OCCCCCCCCC[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C22H44O5Si/c1-8-16-22(23)24-17-14-12-10-9-11-13-15-18-28(25-19(2)3,26-20(4)5)27-21(6)7/h8,16,19-21H,9-15,17-18H2,1-7H3
InChIKeyQQJWMFQKCXMUBH-UHFFFAOYSA-N
MW416.68 g/mol
LogP6.05
Rot. Bonds17

About 9-tri(propan-2-yloxy)silylnonyl but-2-enoate

9-tri(propan-2-yloxy)silylnonyl but-2-enoate (PubChem CID 174208897) has the molecular formula C22H44O5Si and a molecular weight of 416.68 g/mol. Its IUPAC name is 9-tri(propan-2-yloxy)silylnonyl but-2-enoate.

Molecular Properties

Compound Name9-tri(propan-2-yloxy)silylnonyl but-2-enoate
PubChem CID174208897
Molecular FormulaC22H44O5Si
Molecular Weight416.68 g/mol
Exact Mass416.30
IUPAC Name9-tri(propan-2-yloxy)silylnonyl but-2-enoate
SMILESCC=CC(=O)OCCCCCCCCC[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C22H44O5Si/c1-8-16-22(23)24-17-14-12-10-9-11-13-15-18-28(25-19(2)3,26-20(4)5)27-21(6)7/h8,16,19-21H,9-15,17-18H2,1-7H3
InChIKeyQQJWMFQKCXMUBH-UHFFFAOYSA-N
XLogP6.05
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.68
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

11-trimethoxysilylundecyl but-2-enoate
CID 141363372
4-tri(propan-2-yloxy)silylbutyl prop-2-enoate
CID 141323279
5-[chloro(dimethyl)silyl]pentyl but-2-enoate
CID 174106073
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
8-[tris(2,2-dimethylpropoxy)silyl]octyl but-2-enoate
CID 155797348
19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate
CID 174106044
4-trifluorosilylbutyl but-2-enoate
CID 174106149
3-trioctoxysilylpropyl but-2-enoate
CID 57136236

Frequently Asked Questions

What is the IUPAC name of 9-tri(propan-2-yloxy)silylnonyl but-2-enoate?
The IUPAC name of 9-tri(propan-2-yloxy)silylnonyl but-2-enoate (CID 174208897) is 9-tri(propan-2-yloxy)silylnonyl but-2-enoate.
What is the SMILES notation for 9-tri(propan-2-yloxy)silylnonyl but-2-enoate?
The canonical SMILES for 9-tri(propan-2-yloxy)silylnonyl but-2-enoate is CC=CC(=O)OCCCCCCCCC[Si](OC(C)C)(OC(C)C)OC(C)C.
What is the InChIKey of 9-tri(propan-2-yloxy)silylnonyl but-2-enoate?
The InChIKey is QQJWMFQKCXMUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O5Si/c1-8-16-22(23)24-17-14-12-10-9-11-13-15-18-28(25-19(2)3,26-20(4)5)27-21(6)7/h8,16,19-21H,9-15,17-18H2,1-7H3.
What are the key properties of 9-tri(propan-2-yloxy)silylnonyl but-2-enoate?
9-tri(propan-2-yloxy)silylnonyl but-2-enoate has a molecular weight of 416.68 g/mol, XLogP of 6.05, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tri(propan-2-yloxy)silylnonyl but-2-enoate is sourced from PubChem (CID 174208897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).