silyl 5,5-dipropyloctanoate

C14H30O2Si — CID 123559367

IUPACsilyl 5,5-dipropyloctanoate
SMILESCCCC(CCC)(CCC)CCCC(=O)O[SiH3]
InChIInChI=1S/C14H30O2Si/c1-4-9-14(10-5-2,11-6-3)12-7-8-13(15)16-17/h4-12H2,1-3,17H3
InChIKeyUJONGOVJPUOURO-UHFFFAOYSA-N
MW258.48 g/mol
LogP3.37
Rot. Bonds10

About silyl 5,5-dipropyloctanoate

silyl 5,5-dipropyloctanoate (PubChem CID 123559367) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is silyl 5,5-dipropyloctanoate.

Molecular Properties

Compound Namesilyl 5,5-dipropyloctanoate
PubChem CID123559367
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Namesilyl 5,5-dipropyloctanoate
SMILESCCCC(CCC)(CCC)CCCC(=O)O[SiH3]
InChIInChI=1S/C14H30O2Si/c1-4-9-14(10-5-2,11-6-3)12-7-8-13(15)16-17/h4-12H2,1-3,17H3
InChIKeyUJONGOVJPUOURO-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

silyl 5,5-diethyldodecanoate
CID 123613632
silyl 4,4-diethyldodecanoate
CID 123950887
silyl 5-cyclopentyl-5-propyloctanoate
CID 123138842
4,4,9,9-tetrapropyldodecane
CID 140610407
silyl 5-propyloctanoate
CID 174709866
dihexyl nonanedioate;5,5-dihexylnonanedioic acid
CID 175853523
2-pentyl-2-propylpropane-1,3-diol
CID 18188395
ethyl 5-methyl-5-propyloctanoate
CID 134441351
methyl 5,5-dimethylundecanoate
CID 138647692
3,3-dipropylhexoxysilane
CID 123559989
2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 159748951
4-methylheptan-4-yl pentanoate
CID 170214074

Frequently Asked Questions

What is the IUPAC name of silyl 5,5-dipropyloctanoate?
The IUPAC name of silyl 5,5-dipropyloctanoate (CID 123559367) is silyl 5,5-dipropyloctanoate.
What is the SMILES notation for silyl 5,5-dipropyloctanoate?
The canonical SMILES for silyl 5,5-dipropyloctanoate is CCCC(CCC)(CCC)CCCC(=O)O[SiH3].
What is the InChIKey of silyl 5,5-dipropyloctanoate?
The InChIKey is UJONGOVJPUOURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-4-9-14(10-5-2,11-6-3)12-7-8-13(15)16-17/h4-12H2,1-3,17H3.
What are the key properties of silyl 5,5-dipropyloctanoate?
silyl 5,5-dipropyloctanoate has a molecular weight of 258.48 g/mol, XLogP of 3.37, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 5,5-dipropyloctanoate is sourced from PubChem (CID 123559367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).