triethoxysilyl 3,3-bis(sulfanyl)pentanoate

C11H24O5S2Si — CID 87593886

IUPACtriethoxysilyl 3,3-bis(sulfanyl)pentanoate
SMILESCCO[Si](OCC)(OCC)OC(=O)CC(S)(S)CC
InChIInChI=1S/C11H24O5S2Si/c1-5-11(17,18)9-10(12)16-19(13-6-2,14-7-3)15-8-4/h17-18H,5-9H2,1-4H3
InChIKeyLQUXMEOWMQNWEP-UHFFFAOYSA-N
MW328.53 g/mol
LogP2.43
Rot. Bonds10

About triethoxysilyl 3,3-bis(sulfanyl)pentanoate

triethoxysilyl 3,3-bis(sulfanyl)pentanoate (PubChem CID 87593886) has the molecular formula C11H24O5S2Si and a molecular weight of 328.53 g/mol. Its IUPAC name is triethoxysilyl 3,3-bis(sulfanyl)pentanoate.

Molecular Properties

Compound Nametriethoxysilyl 3,3-bis(sulfanyl)pentanoate
PubChem CID87593886
Molecular FormulaC11H24O5S2Si
Molecular Weight328.53 g/mol
Exact Mass328.08
IUPAC Nametriethoxysilyl 3,3-bis(sulfanyl)pentanoate
SMILESCCO[Si](OCC)(OCC)OC(=O)CC(S)(S)CC
InChIInChI=1S/C11H24O5S2Si/c1-5-11(17,18)9-10(12)16-19(13-6-2,14-7-3)15-8-4/h17-18H,5-9H2,1-4H3
InChIKeyLQUXMEOWMQNWEP-UHFFFAOYSA-N
XLogP2.43
TPSA53.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

[diethoxy(methyl)silyl] 3,3-bis(sulfanyl)pentanoate
CID 87594957
CID 159416386
CID 159416386
triethoxysilyl 3-sulfanylpentanoate
CID 91476176
triethoxysilyl 4,4-bis(sulfanyl)butanoate
CID 87595305
CID 87594616
CID 87594616
triethoxysilyl 4-sulfanylhexanoate
CID 91185963
[diacetyloxy(ethoxy)silyl] acetate
CID 12025413
triethoxysilyl 2-chloro-2,2-difluoroacetate
CID 23523584
[diethoxy(methyl)silyl] 2,2-bis(sulfanyl)butanoate
CID 87594075
acetamide;3,3-bis(sulfanyl)pentanamide;dihydrochloride
CID 163214462
[diethoxy(methyl)silyl] 4,4-bis(sulfanyl)pentanoate
CID 87595671
triethoxysilyl N-propylidenecarbamate
CID 174573064

Frequently Asked Questions

What is the IUPAC name of triethoxysilyl 3,3-bis(sulfanyl)pentanoate?
The IUPAC name of triethoxysilyl 3,3-bis(sulfanyl)pentanoate (CID 87593886) is triethoxysilyl 3,3-bis(sulfanyl)pentanoate.
What is the SMILES notation for triethoxysilyl 3,3-bis(sulfanyl)pentanoate?
The canonical SMILES for triethoxysilyl 3,3-bis(sulfanyl)pentanoate is CCO[Si](OCC)(OCC)OC(=O)CC(S)(S)CC.
What is the InChIKey of triethoxysilyl 3,3-bis(sulfanyl)pentanoate?
The InChIKey is LQUXMEOWMQNWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O5S2Si/c1-5-11(17,18)9-10(12)16-19(13-6-2,14-7-3)15-8-4/h17-18H,5-9H2,1-4H3.
What are the key properties of triethoxysilyl 3,3-bis(sulfanyl)pentanoate?
triethoxysilyl 3,3-bis(sulfanyl)pentanoate has a molecular weight of 328.53 g/mol, XLogP of 2.43, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxysilyl 3,3-bis(sulfanyl)pentanoate is sourced from PubChem (CID 87593886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).