[dibutyl(oct-1-enyl)silyl] acetate

C18H36O2Si — CID 57309326

IUPAC[dibutyl(oct-1-enyl)silyl] acetate
SMILESCCCCCCC=C[Si](CCCC)(CCCC)OC(C)=O
InChIInChI=1S/C18H36O2Si/c1-5-8-11-12-13-14-17-21(15-9-6-2,16-10-7-3)20-18(4)19/h14,17H,5-13,15-16H2,1-4H3
InChIKeyXDSTUXWMEVLAGE-UHFFFAOYSA-N
MW312.57 g/mol
LogP6.16
Rot. Bonds13

About [dibutyl(oct-1-enyl)silyl] acetate

[dibutyl(oct-1-enyl)silyl] acetate (PubChem CID 57309326) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is [dibutyl(oct-1-enyl)silyl] acetate.

Molecular Properties

Compound Name[dibutyl(oct-1-enyl)silyl] acetate
PubChem CID57309326
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name[dibutyl(oct-1-enyl)silyl] acetate
SMILESCCCCCCC=C[Si](CCCC)(CCCC)OC(C)=O
InChIInChI=1S/C18H36O2Si/c1-5-8-11-12-13-14-17-21(15-9-6-2,16-10-7-3)20-18(4)19/h14,17H,5-13,15-16H2,1-4H3
InChIKeyXDSTUXWMEVLAGE-UHFFFAOYSA-N
XLogP6.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 56.16
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'}

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Frequently Asked Questions

What is the IUPAC name of [dibutyl(oct-1-enyl)silyl] acetate?
The IUPAC name of [dibutyl(oct-1-enyl)silyl] acetate (CID 57309326) is [dibutyl(oct-1-enyl)silyl] acetate.
What is the SMILES notation for [dibutyl(oct-1-enyl)silyl] acetate?
The canonical SMILES for [dibutyl(oct-1-enyl)silyl] acetate is CCCCCCC=C[Si](CCCC)(CCCC)OC(C)=O.
What is the InChIKey of [dibutyl(oct-1-enyl)silyl] acetate?
The InChIKey is XDSTUXWMEVLAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-5-8-11-12-13-14-17-21(15-9-6-2,16-10-7-3)20-18(4)19/h14,17H,5-13,15-16H2,1-4H3.
What are the key properties of [dibutyl(oct-1-enyl)silyl] acetate?
[dibutyl(oct-1-enyl)silyl] acetate has a molecular weight of 312.57 g/mol, XLogP of 6.16, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl(oct-1-enyl)silyl] acetate is sourced from PubChem (CID 57309326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).