[dimethyl(pentanoyloxy)silyl] pentanoate

C12H24O4Si — CID 170847750

IUPAC[dimethyl(pentanoyloxy)silyl] pentanoate
SMILESCCCCC(=O)O[Si](C)(C)OC(=O)CCCC
InChIInChI=1S/C12H24O4Si/c1-5-7-9-11(13)15-17(3,4)16-12(14)10-8-6-2/h5-10H2,1-4H3
InChIKeyDJTHUXHNPJWWDF-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.15
Rot. Bonds8

About [dimethyl(pentanoyloxy)silyl] pentanoate

[dimethyl(pentanoyloxy)silyl] pentanoate (PubChem CID 170847750) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is [dimethyl(pentanoyloxy)silyl] pentanoate.

Molecular Properties

Compound Name[dimethyl(pentanoyloxy)silyl] pentanoate
PubChem CID170847750
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name[dimethyl(pentanoyloxy)silyl] pentanoate
SMILESCCCCC(=O)O[Si](C)(C)OC(=O)CCCC
InChIInChI=1S/C12H24O4Si/c1-5-7-9-11(13)15-17(3,4)16-12(14)10-8-6-2/h5-10H2,1-4H3
InChIKeyDJTHUXHNPJWWDF-UHFFFAOYSA-N
XLogP3.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dimethyl(pentanoyloxy)silyl] pentanoate?
The IUPAC name of [dimethyl(pentanoyloxy)silyl] pentanoate (CID 170847750) is [dimethyl(pentanoyloxy)silyl] pentanoate.
What is the SMILES notation for [dimethyl(pentanoyloxy)silyl] pentanoate?
The canonical SMILES for [dimethyl(pentanoyloxy)silyl] pentanoate is CCCCC(=O)O[Si](C)(C)OC(=O)CCCC.
What is the InChIKey of [dimethyl(pentanoyloxy)silyl] pentanoate?
The InChIKey is DJTHUXHNPJWWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-5-7-9-11(13)15-17(3,4)16-12(14)10-8-6-2/h5-10H2,1-4H3.
What are the key properties of [dimethyl(pentanoyloxy)silyl] pentanoate?
[dimethyl(pentanoyloxy)silyl] pentanoate has a molecular weight of 260.41 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(pentanoyloxy)silyl] pentanoate is sourced from PubChem (CID 170847750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).