[1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane

C27H58OSi2 — CID 58412260

IUPAC[1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane
SMILESCCCCCCCCCCCCCCCCC(C)(C(C)(C)C[Si](=O)CC)[Si](C)(C)C
InChIInChI=1S/C27H58OSi2/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(5,30(6,7)8)26(3,4)25-29(28)10-2/h9-25H2,1-8H3
InChIKeyWYNSMQGFEIKMCL-UHFFFAOYSA-N
MW454.93 g/mol
LogP10.42
Rot. Bonds20

About [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane

[1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane (PubChem CID 58412260) has the molecular formula C27H58OSi2 and a molecular weight of 454.93 g/mol. Its IUPAC name is [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane
PubChem CID58412260
Molecular FormulaC27H58OSi2
Molecular Weight454.93 g/mol
Exact Mass454.40
IUPAC Name[1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane
SMILESCCCCCCCCCCCCCCCCC(C)(C(C)(C)C[Si](=O)CC)[Si](C)(C)C
InChIInChI=1S/C27H58OSi2/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(5,30(6,7)8)26(3,4)25-29(28)10-2/h9-25H2,1-8H3
InChIKeyWYNSMQGFEIKMCL-UHFFFAOYSA-N
XLogP10.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.93
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane?
The IUPAC name of [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane (CID 58412260) is [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane.
What is the SMILES notation for [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane?
The canonical SMILES for [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane is CCCCCCCCCCCCCCCCC(C)(C(C)(C)C[Si](=O)CC)[Si](C)(C)C.
What is the InChIKey of [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane?
The InChIKey is WYNSMQGFEIKMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58OSi2/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(5,30(6,7)8)26(3,4)25-29(28)10-2/h9-25H2,1-8H3.
What are the key properties of [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane?
[1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane has a molecular weight of 454.93 g/mol, XLogP of 10.42, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane is sourced from PubChem (CID 58412260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).