2,2,3-triethoxy-1-silyldecan-1-one

C16H34O4Si — CID 173024892

IUPAC2,2,3-triethoxy-1-silyldecan-1-one
SMILESCCCCCCCC(OCC)C(OCC)(OCC)C(=O)[SiH3]
InChIInChI=1S/C16H34O4Si/c1-5-9-10-11-12-13-14(18-6-2)16(15(17)21,19-7-3)20-8-4/h14H,5-13H2,1-4,21H3
InChIKeyJQVADDSRVZUCNB-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.41
Rot. Bonds14

About 2,2,3-triethoxy-1-silyldecan-1-one

2,2,3-triethoxy-1-silyldecan-1-one (PubChem CID 173024892) has the molecular formula C16H34O4Si and a molecular weight of 318.53 g/mol. Its IUPAC name is 2,2,3-triethoxy-1-silyldecan-1-one.

Molecular Properties

Compound Name2,2,3-triethoxy-1-silyldecan-1-one
PubChem CID173024892
Molecular FormulaC16H34O4Si
Molecular Weight318.53 g/mol
Exact Mass318.22
IUPAC Name2,2,3-triethoxy-1-silyldecan-1-one
SMILESCCCCCCCC(OCC)C(OCC)(OCC)C(=O)[SiH3]
InChIInChI=1S/C16H34O4Si/c1-5-9-10-11-12-13-14(18-6-2)16(15(17)21,19-7-3)20-8-4/h14H,5-13H2,1-4,21H3
InChIKeyJQVADDSRVZUCNB-UHFFFAOYSA-N
XLogP2.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-triethoxy-1-silyldecan-1-one?
The IUPAC name of 2,2,3-triethoxy-1-silyldecan-1-one (CID 173024892) is 2,2,3-triethoxy-1-silyldecan-1-one.
What is the SMILES notation for 2,2,3-triethoxy-1-silyldecan-1-one?
The canonical SMILES for 2,2,3-triethoxy-1-silyldecan-1-one is CCCCCCCC(OCC)C(OCC)(OCC)C(=O)[SiH3].
What is the InChIKey of 2,2,3-triethoxy-1-silyldecan-1-one?
The InChIKey is JQVADDSRVZUCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4Si/c1-5-9-10-11-12-13-14(18-6-2)16(15(17)21,19-7-3)20-8-4/h14H,5-13H2,1-4,21H3.
What are the key properties of 2,2,3-triethoxy-1-silyldecan-1-one?
2,2,3-triethoxy-1-silyldecan-1-one has a molecular weight of 318.53 g/mol, XLogP of 2.41, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-triethoxy-1-silyldecan-1-one is sourced from PubChem (CID 173024892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).