CID 159843563

C9H21O5S2Si- — CID 159843563

IUPAC—
SMILESCCO[Si](CCCO[S-](=O)=S)(OCC)OCC
InChIInChI=1S/C9H21O5S2Si/c1-4-12-17(13-5-2,14-6-3)9-7-8-11-16(10)15/h4-9H2,1-3H3/q-1
InChIKeyUFPLIBITZAWEIV-UHFFFAOYSA-N
MW301.48 g/mol
LogP1.78
Rot. Bonds11

About CID 159843563

CID 159843563 (PubChem CID 159843563) has the molecular formula C9H21O5S2Si- and a molecular weight of 301.48 g/mol.

Molecular Properties

Compound NameCID 159843563
PubChem CID159843563
Molecular FormulaC9H21O5S2Si-
Molecular Weight301.48 g/mol
Exact Mass301.06
IUPAC Name—
SMILESCCO[Si](CCCO[S-](=O)=S)(OCC)OCC
InChIInChI=1S/C9H21O5S2Si/c1-4-12-17(13-5-2,14-6-3)9-7-8-11-16(10)15/h4-9H2,1-3H3/q-1
InChIKeyUFPLIBITZAWEIV-UHFFFAOYSA-N
XLogP1.78
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane
CID 90147860
triethoxy(3-methoxypropyl)silane
CID 22712922
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
triethoxy(3-thiophosphorosooxypropyl)silane
CID 175204261
O-(3-triethoxysilylpropyl) carbamothioate
CID 175061210
triethoxy-[3-[(2-methylpropan-2-yl)oxy]propyl]silane
CID 175020399
3-(3-triethoxysilylpropoxy)propan-1-amine
CID 54154158
triethoxy-[3-[ethoxy(diethyl)silyl]propyl]silane
CID 87307259
bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
CID 140673134
3-(3-triethoxysilylpropoxy)but-3-en-2-one
CID 59428530
triethoxy(henicosyl)silane
CID 141362894

Frequently Asked Questions

What is the IUPAC name of CID 159843563?
The IUPAC name of CID 159843563 (CID 159843563) is not available.
What is the SMILES notation for CID 159843563?
The canonical SMILES for CID 159843563 is CCO[Si](CCCO[S-](=O)=S)(OCC)OCC.
What is the InChIKey of CID 159843563?
The InChIKey is UFPLIBITZAWEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O5S2Si/c1-4-12-17(13-5-2,14-6-3)9-7-8-11-16(10)15/h4-9H2,1-3H3/q-1.
What are the key properties of CID 159843563?
CID 159843563 has a molecular weight of 301.48 g/mol, XLogP of 1.78, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159843563 is sourced from PubChem (CID 159843563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).