octyl 3-ethyl-2-propyl-2-silylundecanoate

C24H50O2Si — CID 173470106

IUPACoctyl 3-ethyl-2-propyl-2-silylundecanoate
SMILESCCCCCCCCOC(=O)C([SiH3])(CCC)C(CC)CCCCCCCC
InChIInChI=1S/C24H50O2Si/c1-5-9-11-13-15-17-19-22(8-4)24(27,20-7-3)23(25)26-21-18-16-14-12-10-6-2/h22H,5-21H2,1-4,27H3
InChIKeyTVPNQQBIQRSYRL-UHFFFAOYSA-N
MW398.75 g/mol
LogP6.99
Rot. Bonds19

About octyl 3-ethyl-2-propyl-2-silylundecanoate

octyl 3-ethyl-2-propyl-2-silylundecanoate (PubChem CID 173470106) has the molecular formula C24H50O2Si and a molecular weight of 398.75 g/mol. Its IUPAC name is octyl 3-ethyl-2-propyl-2-silylundecanoate.

Molecular Properties

Compound Nameoctyl 3-ethyl-2-propyl-2-silylundecanoate
PubChem CID173470106
Molecular FormulaC24H50O2Si
Molecular Weight398.75 g/mol
Exact Mass398.36
IUPAC Nameoctyl 3-ethyl-2-propyl-2-silylundecanoate
SMILESCCCCCCCCOC(=O)C([SiH3])(CCC)C(CC)CCCCCCCC
InChIInChI=1S/C24H50O2Si/c1-5-9-11-13-15-17-19-22(8-4)24(27,20-7-3)23(25)26-21-18-16-14-12-10-6-2/h22H,5-21H2,1-4,27H3
InChIKeyTVPNQQBIQRSYRL-UHFFFAOYSA-N
XLogP6.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.75
LogP ≤ 56.99
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

didecyl 3,12-didecyl-2,2,13,13-tetramethyltetradecanedioate
CID 140868250
heptyl 2,2-dimethylpentanoate
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octadecyl 2-hydroxydocosanoate
CID 22753830
octacosyl 2-hydroxyoctadecanoate
CID 152554946
dioctadecyl 2-heptadecylpropanedioate
CID 146623140
didocosyl 2-icosylpropanedioate
CID 139968255
diicosyl 2-icosylpropanedioate
CID 139968248
diethyl 2-butyl-2-pentadecan-6-ylpropanedioate
CID 58860149
octyl 2,2-dioctyldecanoate
CID 90110447
octyl 2-sulfanyldecanoate;stannane
CID 173438957
hexyl 2,2-dihexyloctanoate
CID 90110386
tridecyl 2,2-di(tridecyl)hexadecanoate
CID 175533725

Frequently Asked Questions

What is the IUPAC name of octyl 3-ethyl-2-propyl-2-silylundecanoate?
The IUPAC name of octyl 3-ethyl-2-propyl-2-silylundecanoate (CID 173470106) is octyl 3-ethyl-2-propyl-2-silylundecanoate.
What is the SMILES notation for octyl 3-ethyl-2-propyl-2-silylundecanoate?
The canonical SMILES for octyl 3-ethyl-2-propyl-2-silylundecanoate is CCCCCCCCOC(=O)C([SiH3])(CCC)C(CC)CCCCCCCC.
What is the InChIKey of octyl 3-ethyl-2-propyl-2-silylundecanoate?
The InChIKey is TVPNQQBIQRSYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2Si/c1-5-9-11-13-15-17-19-22(8-4)24(27,20-7-3)23(25)26-21-18-16-14-12-10-6-2/h22H,5-21H2,1-4,27H3.
What are the key properties of octyl 3-ethyl-2-propyl-2-silylundecanoate?
octyl 3-ethyl-2-propyl-2-silylundecanoate has a molecular weight of 398.75 g/mol, XLogP of 6.99, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 3-ethyl-2-propyl-2-silylundecanoate is sourced from PubChem (CID 173470106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).