silyl 5-cyclopentyl-5-propyloctanoate

C16H32O2Si — CID 123138842

IUPACsilyl 5-cyclopentyl-5-propyloctanoate
SMILESCCCC(CCC)(CCCC(=O)O[SiH3])C1CCCC1
InChIInChI=1S/C16H32O2Si/c1-3-11-16(12-4-2,14-8-5-6-9-14)13-7-10-15(17)18-19/h14H,3-13H2,1-2,19H3
InChIKeyPEKDDGGZXOZIGY-UHFFFAOYSA-N
MW284.52 g/mol
LogP3.76
Rot. Bonds9

About silyl 5-cyclopentyl-5-propyloctanoate

silyl 5-cyclopentyl-5-propyloctanoate (PubChem CID 123138842) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is silyl 5-cyclopentyl-5-propyloctanoate.

Molecular Properties

Compound Namesilyl 5-cyclopentyl-5-propyloctanoate
PubChem CID123138842
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Namesilyl 5-cyclopentyl-5-propyloctanoate
SMILESCCCC(CCC)(CCCC(=O)O[SiH3])C1CCCC1
InChIInChI=1S/C16H32O2Si/c1-3-11-16(12-4-2,14-8-5-6-9-14)13-7-10-15(17)18-19/h14H,3-13H2,1-2,19H3
InChIKeyPEKDDGGZXOZIGY-UHFFFAOYSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 53.76
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-dipropyloctanoate
CID 123559367
silyl 5,5-diethyldodecanoate
CID 123613632
[1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane
CID 112571210
silyl 4,4-diethyldodecanoate
CID 123950887
silyl 5-propyloctanoate
CID 174709866
4-cyclopentylheptan-4-ol
CID 114865959
2-cyclopentyl-2-(3-ethylsulfonylpropyl)propane-1,3-diol
CID 112570929
2-cyclopentyl-2-methyldecanoic acid
CID 175087816
2-cyclohexyl-2-(methoxymethyl)pentan-1-amine
CID 139927573
(2-cyclohexyl-2-ethylbutoxy)silane
CID 123574003
(4-ethyl-6,6-dimethyloctan-4-yl)cyclopentane
CID 123410330
2-cyclohexyl-2-hexylhexanedioic acid
CID 66598737

Frequently Asked Questions

What is the IUPAC name of silyl 5-cyclopentyl-5-propyloctanoate?
The IUPAC name of silyl 5-cyclopentyl-5-propyloctanoate (CID 123138842) is silyl 5-cyclopentyl-5-propyloctanoate.
What is the SMILES notation for silyl 5-cyclopentyl-5-propyloctanoate?
The canonical SMILES for silyl 5-cyclopentyl-5-propyloctanoate is CCCC(CCC)(CCCC(=O)O[SiH3])C1CCCC1.
What is the InChIKey of silyl 5-cyclopentyl-5-propyloctanoate?
The InChIKey is PEKDDGGZXOZIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-3-11-16(12-4-2,14-8-5-6-9-14)13-7-10-15(17)18-19/h14H,3-13H2,1-2,19H3.
What are the key properties of silyl 5-cyclopentyl-5-propyloctanoate?
silyl 5-cyclopentyl-5-propyloctanoate has a molecular weight of 284.52 g/mol, XLogP of 3.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 5-cyclopentyl-5-propyloctanoate is sourced from PubChem (CID 123138842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).