[dimethyl(propan-2-yl)silyl] nonadecanoate

C24H50O2Si — CID 631970

IUPAC[dimethyl(propan-2-yl)silyl] nonadecanoate
SMILESCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C(C)C
InChIInChI=1S/C24H50O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(25)26-27(4,5)23(2)3/h23H,6-22H2,1-5H3
InChIKeyNQEKFHVSOWJWTA-UHFFFAOYSA-N
MW398.75 g/mol
LogP8.80
Rot. Bonds19

About [dimethyl(propan-2-yl)silyl] nonadecanoate

[dimethyl(propan-2-yl)silyl] nonadecanoate (PubChem CID 631970) has the molecular formula C24H50O2Si and a molecular weight of 398.75 g/mol. Its IUPAC name is [dimethyl(propan-2-yl)silyl] nonadecanoate.

Molecular Properties

Compound Name[dimethyl(propan-2-yl)silyl] nonadecanoate
PubChem CID631970
Molecular FormulaC24H50O2Si
Molecular Weight398.75 g/mol
Exact Mass398.36
IUPAC Name[dimethyl(propan-2-yl)silyl] nonadecanoate
SMILESCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C(C)C
InChIInChI=1S/C24H50O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(25)26-27(4,5)23(2)3/h23H,6-22H2,1-5H3
InChIKeyNQEKFHVSOWJWTA-UHFFFAOYSA-N
XLogP8.80
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 ≤ 58.80
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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Frequently Asked Questions

What is the IUPAC name of [dimethyl(propan-2-yl)silyl] nonadecanoate?
The IUPAC name of [dimethyl(propan-2-yl)silyl] nonadecanoate (CID 631970) is [dimethyl(propan-2-yl)silyl] nonadecanoate.
What is the SMILES notation for [dimethyl(propan-2-yl)silyl] nonadecanoate?
The canonical SMILES for [dimethyl(propan-2-yl)silyl] nonadecanoate is CCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C(C)C.
What is the InChIKey of [dimethyl(propan-2-yl)silyl] nonadecanoate?
The InChIKey is NQEKFHVSOWJWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(25)26-27(4,5)23(2)3/h23H,6-22H2,1-5H3.
What are the key properties of [dimethyl(propan-2-yl)silyl] nonadecanoate?
[dimethyl(propan-2-yl)silyl] nonadecanoate has a molecular weight of 398.75 g/mol, XLogP of 8.80, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(propan-2-yl)silyl] nonadecanoate is sourced from PubChem (CID 631970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).