[diethoxy(methyl)silyl] 4,4-bis(sulfanyl)pentanoate

C10H22O4S2Si — CID 87595671

IUPAC[diethoxy(methyl)silyl] 4,4-bis(sulfanyl)pentanoate
SMILESCCO[Si](C)(OCC)OC(=O)CCC(C)(S)S
InChIInChI=1S/C10H22O4S2Si/c1-5-12-17(4,13-6-2)14-9(11)7-8-10(3,15)16/h15-16H,5-8H2,1-4H3
InChIKeyWZLJJAAQZQQQPY-UHFFFAOYSA-N
MW298.50 g/mol
LogP2.53
Rot. Bonds8

About [diethoxy(methyl)silyl] 4,4-bis(sulfanyl)pentanoate

[diethoxy(methyl)silyl] 4,4-bis(sulfanyl)pentanoate (PubChem CID 87595671) has the molecular formula C10H22O4S2Si and a molecular weight of 298.50 g/mol. Its IUPAC name is [diethoxy(methyl)silyl] 4,4-bis(sulfanyl)pentanoate.

Molecular Properties

Compound Name[diethoxy(methyl)silyl] 4,4-bis(sulfanyl)pentanoate
PubChem CID87595671
Molecular FormulaC10H22O4S2Si
Molecular Weight298.50 g/mol
Exact Mass298.07
IUPAC Name[diethoxy(methyl)silyl] 4,4-bis(sulfanyl)pentanoate
SMILESCCO[Si](C)(OCC)OC(=O)CCC(C)(S)S
InChIInChI=1S/C10H22O4S2Si/c1-5-12-17(4,13-6-2)14-9(11)7-8-10(3,15)16/h15-16H,5-8H2,1-4H3
InChIKeyWZLJJAAQZQQQPY-UHFFFAOYSA-N
XLogP2.53
TPSA44.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [diethoxy(methyl)silyl] 4,4-bis(sulfanyl)pentanoate?
The IUPAC name of [diethoxy(methyl)silyl] 4,4-bis(sulfanyl)pentanoate (CID 87595671) is [diethoxy(methyl)silyl] 4,4-bis(sulfanyl)pentanoate.
What is the SMILES notation for [diethoxy(methyl)silyl] 4,4-bis(sulfanyl)pentanoate?
The canonical SMILES for [diethoxy(methyl)silyl] 4,4-bis(sulfanyl)pentanoate is CCO[Si](C)(OCC)OC(=O)CCC(C)(S)S.
What is the InChIKey of [diethoxy(methyl)silyl] 4,4-bis(sulfanyl)pentanoate?
The InChIKey is WZLJJAAQZQQQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S2Si/c1-5-12-17(4,13-6-2)14-9(11)7-8-10(3,15)16/h15-16H,5-8H2,1-4H3.
What are the key properties of [diethoxy(methyl)silyl] 4,4-bis(sulfanyl)pentanoate?
[diethoxy(methyl)silyl] 4,4-bis(sulfanyl)pentanoate has a molecular weight of 298.50 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxy(methyl)silyl] 4,4-bis(sulfanyl)pentanoate is sourced from PubChem (CID 87595671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).