CID 160834491

C11H24NaO4SSi — CID 160834491

IUPAC—
SMILESCCCCC(=S)O[Si](OCC)(OCC)OCC.[Na]
InChIInChI=1S/C11H24O4SSi.Na/c1-5-9-10-11(16)15-17(12-6-2,13-7-3)14-8-4;/h5-10H2,1-4H3;
InChIKeySHFTVBUCBSLCSI-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.68
Rot. Bonds10

About CID 160834491

CID 160834491 (PubChem CID 160834491) has the molecular formula C11H24NaO4SSi and a molecular weight of 303.45 g/mol.

Molecular Properties

Compound NameCID 160834491
PubChem CID160834491
Molecular FormulaC11H24NaO4SSi
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name—
SMILESCCCCC(=S)O[Si](OCC)(OCC)OCC.[Na]
InChIInChI=1S/C11H24O4SSi.Na/c1-5-9-10-11(16)15-17(12-6-2,13-7-3)14-8-4;/h5-10H2,1-4H3;
InChIKeySHFTVBUCBSLCSI-UHFFFAOYSA-N
XLogP2.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

O-ethyl nonanethioate
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O-(3-triethoxysilylpropyl) octadecanethioate
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O-carboxy pentanethioate
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O-heptadecyl pentanethioate
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1-O,5-O-diethyl pentanebis(thioate)
CID 15562620
diethyl dioctyl silicate
CID 154218739
CID 87594616
CID 87594616
tridodecyl ethyl silicate
CID 154324829
CID 159416386
CID 159416386
O-propyl hexanethioate
CID 139806160
triethoxy-[(E)-1-trimethylsilylhex-1-en-2-yl]silane
CID 102500566
triethyl (1-methoxy-2-methylprop-1-enyl) silicate
CID 21245405

Frequently Asked Questions

What is the IUPAC name of CID 160834491?
The IUPAC name of CID 160834491 (CID 160834491) is not available.
What is the SMILES notation for CID 160834491?
The canonical SMILES for CID 160834491 is CCCCC(=S)O[Si](OCC)(OCC)OCC.[Na].
What is the InChIKey of CID 160834491?
The InChIKey is SHFTVBUCBSLCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4SSi.Na/c1-5-9-10-11(16)15-17(12-6-2,13-7-3)14-8-4;/h5-10H2,1-4H3;.
What are the key properties of CID 160834491?
CID 160834491 has a molecular weight of 303.45 g/mol, XLogP of 2.68, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160834491 is sourced from PubChem (CID 160834491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).