silyl 4,4-diethyldodecanoate

C16H34O2Si — CID 123950887

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

About silyl 4,4-diethyldodecanoate

silyl 4,4-diethyldodecanoate (PubChem CID 123950887) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is silyl 4,4-diethyldodecanoate.

Molecular Properties

Compound Namesilyl 4,4-diethyldodecanoate
PubChem CID123950887
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Namesilyl 4,4-diethyldodecanoate
SMILESCCCCCCCCC(CC)(CC)CCC(=O)O[SiH3]
InChIInChI=1S/C16H34O2Si/c1-4-7-8-9-10-11-13-16(5-2,6-3)14-12-15(17)18-19/h4-14H2,1-3,19H3
InChIKeyURWDQFZYQNMKNI-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 5,5-diethyldodecanoate
CID 123613632
silyl 5,5-dipropyloctanoate
CID 123559367
7-butyl-7-ethyltetradecane
CID 174665936
bis[2,2-bis(octanoyloxymethyl)butyl] decanedioate
CID 168854678
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
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602
3-ethyloctan-3-yl hexadecanoate
CID 141194185
2,6-didodecyl-2,6-bis(hydroxymethyl)heptane-1,7-diol
CID 142452979
3,3-di(tridecyl)pentanedioic acid
CID 141126442

Frequently Asked Questions

What is the IUPAC name of silyl 4,4-diethyldodecanoate?
The IUPAC name of silyl 4,4-diethyldodecanoate (CID 123950887) is silyl 4,4-diethyldodecanoate.
What is the SMILES notation for silyl 4,4-diethyldodecanoate?
The canonical SMILES for silyl 4,4-diethyldodecanoate is CCCCCCCCC(CC)(CC)CCC(=O)O[SiH3].
What is the InChIKey of silyl 4,4-diethyldodecanoate?
The InChIKey is URWDQFZYQNMKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-4-7-8-9-10-11-13-16(5-2,6-3)14-12-15(17)18-19/h4-14H2,1-3,19H3.
What are the key properties of silyl 4,4-diethyldodecanoate?
silyl 4,4-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 4,4-diethyldodecanoate is sourced from PubChem (CID 123950887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).