3-sulfanylidene-1-triethoxysilylnonan-4-one

C15H30O4SSi — CID 89287426

IUPAC3-sulfanylidene-1-triethoxysilylnonan-4-one
SMILESCCCCCC(=O)C(=S)CC[Si](OCC)(OCC)OCC
InChIInChI=1S/C15H30O4SSi/c1-5-9-10-11-14(16)15(20)12-13-21(17-6-2,18-7-3)19-8-4/h5-13H2,1-4H3
InChIKeyPFYHZLGSFTXDOC-UHFFFAOYSA-N
MW334.55 g/mol
LogP3.94
Rot. Bonds14

About 3-sulfanylidene-1-triethoxysilylnonan-4-one

3-sulfanylidene-1-triethoxysilylnonan-4-one (PubChem CID 89287426) has the molecular formula C15H30O4SSi and a molecular weight of 334.55 g/mol. Its IUPAC name is 3-sulfanylidene-1-triethoxysilylnonan-4-one.

Molecular Properties

Compound Name3-sulfanylidene-1-triethoxysilylnonan-4-one
PubChem CID89287426
Molecular FormulaC15H30O4SSi
Molecular Weight334.55 g/mol
Exact Mass334.16
IUPAC Name3-sulfanylidene-1-triethoxysilylnonan-4-one
SMILESCCCCCC(=O)C(=S)CC[Si](OCC)(OCC)OCC
InChIInChI=1S/C15H30O4SSi/c1-5-9-10-11-14(16)15(20)12-13-21(17-6-2,18-7-3)19-8-4/h5-13H2,1-4H3
InChIKeyPFYHZLGSFTXDOC-UHFFFAOYSA-N
XLogP3.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

S-octanoyl octanethioate;triethoxy(propyl)silane
CID 175133378
N-(3-triethoxysilylpropyl)hexanamide
CID 71321496
O-(3-triethoxysilylpropyl) octadecanethioate
CID 87778386
S-(3-triethoxysilylpropyl) tetradecanethioate
CID 22026178
1,9-bis(triethoxysilyl)nonan-5-one
CID 158928265
S-(5-triethoxysilylpentyl) icosanethioate
CID 175847845
S-(4-triethoxysilylbutyl) tetradecanethioate
CID 175847842
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
N-deuterio-N-(3-triethoxysilylpropyl)octadecanamide
CID 175949484
bis(carbamothioic S-acid);dodecanoic acid;triethoxy(propyl)silane
CID 174555694

Frequently Asked Questions

What is the IUPAC name of 3-sulfanylidene-1-triethoxysilylnonan-4-one?
The IUPAC name of 3-sulfanylidene-1-triethoxysilylnonan-4-one (CID 89287426) is 3-sulfanylidene-1-triethoxysilylnonan-4-one.
What is the SMILES notation for 3-sulfanylidene-1-triethoxysilylnonan-4-one?
The canonical SMILES for 3-sulfanylidene-1-triethoxysilylnonan-4-one is CCCCCC(=O)C(=S)CC[Si](OCC)(OCC)OCC.
What is the InChIKey of 3-sulfanylidene-1-triethoxysilylnonan-4-one?
The InChIKey is PFYHZLGSFTXDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4SSi/c1-5-9-10-11-14(16)15(20)12-13-21(17-6-2,18-7-3)19-8-4/h5-13H2,1-4H3.
What are the key properties of 3-sulfanylidene-1-triethoxysilylnonan-4-one?
3-sulfanylidene-1-triethoxysilylnonan-4-one has a molecular weight of 334.55 g/mol, XLogP of 3.94, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanylidene-1-triethoxysilylnonan-4-one is sourced from PubChem (CID 89287426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).