CID 171486086

C14H29O2SSi — CID 171486086

IUPAC—
SMILESCCCCCCCC(=O)SCCCCO[Si](C)C
InChIInChI=1S/C14H29O2SSi/c1-4-5-6-7-8-11-14(15)17-13-10-9-12-16-18(2)3/h4-13H2,1-3H3
InChIKeyHBBZSOJRJIDNOD-UHFFFAOYSA-N
MW289.54 g/mol
LogP4.65
Rot. Bonds12

About CID 171486086

CID 171486086 (PubChem CID 171486086) has the molecular formula C14H29O2SSi and a molecular weight of 289.54 g/mol.

Molecular Properties

Compound NameCID 171486086
PubChem CID171486086
Molecular FormulaC14H29O2SSi
Molecular Weight289.54 g/mol
Exact Mass289.17
IUPAC Name—
SMILESCCCCCCCC(=O)SCCCCO[Si](C)C
InChIInChI=1S/C14H29O2SSi/c1-4-5-6-7-8-11-14(15)17-13-10-9-12-16-18(2)3/h4-13H2,1-3H3
InChIKeyHBBZSOJRJIDNOD-UHFFFAOYSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.54
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

S-butyl nonanethioate
CID 10421399
S-(4-trimethoxysilylbutyl) hexadecanethioate
CID 175847888
S-octyl undec-10-enethioate
CID 101446304
S-(5-triethoxysilylpentyl) icosanethioate
CID 175847845
S-(4-triethoxysilylbutyl) tetradecanethioate
CID 175847842
S-octadecyl butanethioate;trimethylstannane
CID 173446617
S-butyl 6-bromohexanethioate
CID 11346169
S-(2-tributoxysilylethyl) heptanethioate
CID 91381484
S-(3-triethoxysilylpropyl) tetradecanethioate
CID 22026178
S-[6-(3-triethoxysilylpropylsulfanyl)hexyl] hexadecanethioate
CID 175709984
S-(4-butyl-4-silyloxyoctyl) octanethioate
CID 175576021
S-[3-[ethoxy(dimethyl)silyl]propyl] octanethioate
CID 58534629

Frequently Asked Questions

What is the IUPAC name of CID 171486086?
The IUPAC name of CID 171486086 (CID 171486086) is not available.
What is the SMILES notation for CID 171486086?
The canonical SMILES for CID 171486086 is CCCCCCCC(=O)SCCCCO[Si](C)C.
What is the InChIKey of CID 171486086?
The InChIKey is HBBZSOJRJIDNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29O2SSi/c1-4-5-6-7-8-11-14(15)17-13-10-9-12-16-18(2)3/h4-13H2,1-3H3.
What are the key properties of CID 171486086?
CID 171486086 has a molecular weight of 289.54 g/mol, XLogP of 4.65, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171486086 is sourced from PubChem (CID 171486086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).