silyl 5,5-diethyldodecanoate

C16H34O2Si — CID 123613632

IUPACsilyl 5,5-diethyldodecanoate
SMILESCCCCCCCC(CC)(CC)CCCC(=O)O[SiH3]
InChIInChI=1S/C16H34O2Si/c1-4-7-8-9-10-13-16(5-2,6-3)14-11-12-15(17)18-19/h4-14H2,1-3,19H3
InChIKeyDEGMIXFHOIWREU-UHFFFAOYSA-N
MW286.53 g/mol
LogP4.15
Rot. Bonds12

About silyl 5,5-diethyldodecanoate

silyl 5,5-diethyldodecanoate (PubChem CID 123613632) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is silyl 5,5-diethyldodecanoate.

Molecular Properties

Compound Namesilyl 5,5-diethyldodecanoate
PubChem CID123613632
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Namesilyl 5,5-diethyldodecanoate
SMILESCCCCCCCC(CC)(CC)CCCC(=O)O[SiH3]
InChIInChI=1S/C16H34O2Si/c1-4-7-8-9-10-13-16(5-2,6-3)14-11-12-15(17)18-19/h4-14H2,1-3,19H3
InChIKeyDEGMIXFHOIWREU-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.15
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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Related Compounds

silyl 4,4-diethyldodecanoate
CID 123950887
silyl 5,5-dipropyloctanoate
CID 123559367
6-O-[2-[[6-[2,2-bis(decanoyloxymethyl)butoxy]-6-oxohexanoyl]oxymethyl]-2-(octanoyloxymethyl)butyl] 1-O-[2,2-bis(octanoyloxymethyl)butyl] hexanedioate
CID 102060530
bis[2,2-bis(octanoyloxymethyl)butyl] decanedioate
CID 168854678
methyl 5,5-dimethylundecanoate
CID 138647692
3-ethyloctan-3-yl hexadecanoate
CID 141194185
dihexyl nonanedioate;5,5-dihexylnonanedioic acid
CID 175853523
7-butyl-7-ethyltetradecane
CID 174665936
bis(17-pentyltritriacontan-17-yl) hexanedioate
CID 90428517
18-heptanoyloxyhexatriacontan-18-yl octanoate
CID 140994365
silyl 5-cyclopentyl-5-propyloctanoate
CID 123138842
9-methylnonadecan-9-yl octadecanoate
CID 87086259

Frequently Asked Questions

What is the IUPAC name of silyl 5,5-diethyldodecanoate?
The IUPAC name of silyl 5,5-diethyldodecanoate (CID 123613632) is silyl 5,5-diethyldodecanoate.
What is the SMILES notation for silyl 5,5-diethyldodecanoate?
The canonical SMILES for silyl 5,5-diethyldodecanoate is CCCCCCCC(CC)(CC)CCCC(=O)O[SiH3].
What is the InChIKey of silyl 5,5-diethyldodecanoate?
The InChIKey is DEGMIXFHOIWREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-4-7-8-9-10-13-16(5-2,6-3)14-11-12-15(17)18-19/h4-14H2,1-3,19H3.
What are the key properties of silyl 5,5-diethyldodecanoate?
silyl 5,5-diethyldodecanoate has a molecular weight of 286.53 g/mol, XLogP of 4.15, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 5,5-diethyldodecanoate is sourced from PubChem (CID 123613632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).