CID 87594616

C8H18KO5Si — CID 87594616

IUPAC—
SMILESCCO[Si](OCC)(OCC)OC(C)=O.[K]
InChIInChI=1S/C8H18O5Si.K/c1-5-10-14(11-6-2,12-7-3)13-8(4)9;/h5-7H2,1-4H3;
InChIKeyIIWDZOMTEVLFSE-UHFFFAOYSA-N
MW261.41 g/mol
LogP0.71
Rot. Bonds7

About CID 87594616

CID 87594616 (PubChem CID 87594616) has the molecular formula C8H18KO5Si and a molecular weight of 261.41 g/mol.

Molecular Properties

Compound NameCID 87594616
PubChem CID87594616
Molecular FormulaC8H18KO5Si
Molecular Weight261.41 g/mol
Exact Mass261.06
IUPAC Name—
SMILESCCO[Si](OCC)(OCC)OC(C)=O.[K]
InChIInChI=1S/C8H18O5Si.K/c1-5-10-14(11-6-2,12-7-3)13-8(4)9;/h5-7H2,1-4H3;
InChIKeyIIWDZOMTEVLFSE-UHFFFAOYSA-N
XLogP0.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[diacetyloxy(ethoxy)silyl] acetate
CID 12025413
CID 159416386
CID 159416386
[ethoxy(dihydroxy)silyl] acetate
CID 138401647
triacetyloxysilyl propanoate
CID 139651068
triethoxysilyl 2-chloro-2,2-difluoroacetate
CID 23523584
triethyl (1-methoxy-2-methylprop-1-enyl) silicate
CID 21245405
triethoxysilyl N-propylidenecarbamate
CID 174573064
triethoxysilyl 3,3-bis(sulfanyl)pentanoate
CID 87593886
triethoxysilyl 3-sulfanylpentanoate
CID 91476176
triethoxysilyl 4,4-bis(sulfanyl)butanoate
CID 87595305
triethoxysilyl 4-sulfanylhexanoate
CID 91185963
[acetyloxy(diethoxy)silyl]methyl 2-methylprop-2-enoate
CID 22457247

Frequently Asked Questions

What is the IUPAC name of CID 87594616?
The IUPAC name of CID 87594616 (CID 87594616) is not available.
What is the SMILES notation for CID 87594616?
The canonical SMILES for CID 87594616 is CCO[Si](OCC)(OCC)OC(C)=O.[K].
What is the InChIKey of CID 87594616?
The InChIKey is IIWDZOMTEVLFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5Si.K/c1-5-10-14(11-6-2,12-7-3)13-8(4)9;/h5-7H2,1-4H3;.
What are the key properties of CID 87594616?
CID 87594616 has a molecular weight of 261.41 g/mol, XLogP of 0.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87594616 is sourced from PubChem (CID 87594616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).