silyl 2-propylpentanoate

C8H18O2Si — CID 123713518

IUPACsilyl 2-propylpentanoate
SMILESCCCC(CCC)C(=O)O[SiH3]
InChIInChI=1S/C8H18O2Si/c1-3-5-7(6-4-2)8(9)10-11/h7H,3-6H2,1-2,11H3
InChIKeyPODNTAGUZUBQSO-UHFFFAOYSA-N
MW174.32 g/mol
LogP1.03
Rot. Bonds5

About silyl 2-propylpentanoate

silyl 2-propylpentanoate (PubChem CID 123713518) has the molecular formula C8H18O2Si and a molecular weight of 174.32 g/mol. Its IUPAC name is silyl 2-propylpentanoate.

Molecular Properties

Compound Namesilyl 2-propylpentanoate
PubChem CID123713518
Molecular FormulaC8H18O2Si
Molecular Weight174.32 g/mol
Exact Mass174.11
IUPAC Namesilyl 2-propylpentanoate
SMILESCCCC(CCC)C(=O)O[SiH3]
InChIInChI=1S/C8H18O2Si/c1-3-5-7(6-4-2)8(9)10-11/h7H,3-6H2,1-2,11H3
InChIKeyPODNTAGUZUBQSO-UHFFFAOYSA-N
XLogP1.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.32
LogP ≤ 51.03
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

2-propylpentanoyl 2-propylpentanoate
CID 10923624
ethene;ethyl 2-propylpentanoate
CID 160741230
(2-aminoacetyl) 2-propylpentanoate
CID 87611330
5-silyloxycarbonylheptanoic acid
CID 175188564
[2,2-dimethyl-3-(2-propylheptanoyloxy)propyl] 2-propylheptanoate
CID 140885315
2-propylnonanoyl 2-propylnonanoate
CID 54359138
cyanomethyl 2-propylpentanoate
CID 140799201
2-ethylpentaneperoxoic acid
CID 178072085
silyl 5-propyloctanoate
CID 174709866
(2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid
CID 58732233
methyl 2-propyltetradecanoate
CID 174361538
2-propyldodecaneperoxoic acid
CID 23173793

Frequently Asked Questions

What is the IUPAC name of silyl 2-propylpentanoate?
The IUPAC name of silyl 2-propylpentanoate (CID 123713518) is silyl 2-propylpentanoate.
What is the SMILES notation for silyl 2-propylpentanoate?
The canonical SMILES for silyl 2-propylpentanoate is CCCC(CCC)C(=O)O[SiH3].
What is the InChIKey of silyl 2-propylpentanoate?
The InChIKey is PODNTAGUZUBQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si/c1-3-5-7(6-4-2)8(9)10-11/h7H,3-6H2,1-2,11H3.
What are the key properties of silyl 2-propylpentanoate?
silyl 2-propylpentanoate has a molecular weight of 174.32 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2-propylpentanoate is sourced from PubChem (CID 123713518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).