1-(1,1,2-triethoxy-3-ethylsilinan-2-yl)decan-1-one

C23H46O4Si — CID 174971110

IUPAC1-(1,1,2-triethoxy-3-ethylsilinan-2-yl)decan-1-one
SMILESCCCCCCCCCC(=O)C1(OCC)C(CC)CCC[Si]1(OCC)OCC
InChIInChI=1S/C23H46O4Si/c1-6-11-12-13-14-15-16-19-22(24)23(25-8-3)21(7-2)18-17-20-28(23,26-9-4)27-10-5/h21H,6-20H2,1-5H3
InChIKeyWPXFAQNNIFBCKS-UHFFFAOYSA-N
MW414.70 g/mol
LogP6.35
Rot. Bonds16

About 1-(1,1,2-triethoxy-3-ethylsilinan-2-yl)decan-1-one

1-(1,1,2-triethoxy-3-ethylsilinan-2-yl)decan-1-one (PubChem CID 174971110) has the molecular formula C23H46O4Si and a molecular weight of 414.70 g/mol. Its IUPAC name is 1-(1,1,2-triethoxy-3-ethylsilinan-2-yl)decan-1-one.

Molecular Properties

Compound Name1-(1,1,2-triethoxy-3-ethylsilinan-2-yl)decan-1-one
PubChem CID174971110
Molecular FormulaC23H46O4Si
Molecular Weight414.70 g/mol
Exact Mass414.32
IUPAC Name1-(1,1,2-triethoxy-3-ethylsilinan-2-yl)decan-1-one
SMILESCCCCCCCCCC(=O)C1(OCC)C(CC)CCC[Si]1(OCC)OCC
InChIInChI=1S/C23H46O4Si/c1-6-11-12-13-14-15-16-19-22(24)23(25-8-3)21(7-2)18-17-20-28(23,26-9-4)27-10-5/h21H,6-20H2,1-5H3
InChIKeyWPXFAQNNIFBCKS-UHFFFAOYSA-N
XLogP6.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.70
LogP ≤ 56.35
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2-triethoxy-3-ethylsilinan-2-yl)decan-1-one?
The IUPAC name of 1-(1,1,2-triethoxy-3-ethylsilinan-2-yl)decan-1-one (CID 174971110) is 1-(1,1,2-triethoxy-3-ethylsilinan-2-yl)decan-1-one.
What is the SMILES notation for 1-(1,1,2-triethoxy-3-ethylsilinan-2-yl)decan-1-one?
The canonical SMILES for 1-(1,1,2-triethoxy-3-ethylsilinan-2-yl)decan-1-one is CCCCCCCCCC(=O)C1(OCC)C(CC)CCC[Si]1(OCC)OCC.
What is the InChIKey of 1-(1,1,2-triethoxy-3-ethylsilinan-2-yl)decan-1-one?
The InChIKey is WPXFAQNNIFBCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O4Si/c1-6-11-12-13-14-15-16-19-22(24)23(25-8-3)21(7-2)18-17-20-28(23,26-9-4)27-10-5/h21H,6-20H2,1-5H3.
What are the key properties of 1-(1,1,2-triethoxy-3-ethylsilinan-2-yl)decan-1-one?
1-(1,1,2-triethoxy-3-ethylsilinan-2-yl)decan-1-one has a molecular weight of 414.70 g/mol, XLogP of 6.35, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2-triethoxy-3-ethylsilinan-2-yl)decan-1-one is sourced from PubChem (CID 174971110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).