trimethylsilyl 2-methylpentadecanoate

C19H40O2Si — CID 91747655

IUPACtrimethylsilyl 2-methylpentadecanoate
SMILESCCCCCCCCCCCCCC(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C19H40O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21-22(3,4)5/h18H,6-17H2,1-5H3
InChIKeyVTUHRCMSKKPSFY-UHFFFAOYSA-N
MW328.61 g/mol
LogP6.70
Rot. Bonds14

About trimethylsilyl 2-methylpentadecanoate

trimethylsilyl 2-methylpentadecanoate (PubChem CID 91747655) has the molecular formula C19H40O2Si and a molecular weight of 328.61 g/mol. Its IUPAC name is trimethylsilyl 2-methylpentadecanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-methylpentadecanoate
PubChem CID91747655
Molecular FormulaC19H40O2Si
Molecular Weight328.61 g/mol
Exact Mass328.28
IUPAC Nametrimethylsilyl 2-methylpentadecanoate
SMILESCCCCCCCCCCCCCC(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C19H40O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21-22(3,4)5/h18H,6-17H2,1-5H3
InChIKeyVTUHRCMSKKPSFY-UHFFFAOYSA-N
XLogP6.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 56.70
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 trimethylsilyl 2-methylpentadecanoate?
The IUPAC name of trimethylsilyl 2-methylpentadecanoate (CID 91747655) is trimethylsilyl 2-methylpentadecanoate.
What is the SMILES notation for trimethylsilyl 2-methylpentadecanoate?
The canonical SMILES for trimethylsilyl 2-methylpentadecanoate is CCCCCCCCCCCCCC(C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-methylpentadecanoate?
The InChIKey is VTUHRCMSKKPSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21-22(3,4)5/h18H,6-17H2,1-5H3.
What are the key properties of trimethylsilyl 2-methylpentadecanoate?
trimethylsilyl 2-methylpentadecanoate has a molecular weight of 328.61 g/mol, XLogP of 6.70, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-methylpentadecanoate is sourced from PubChem (CID 91747655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).