CID 159416386

C9H20KO5Si — CID 159416386

IUPAC—
SMILESCCO[Si](OCC)(OCC)OC(=O)CC.[K]
InChIInChI=1S/C9H20O5Si.K/c1-5-9(10)14-15(11-6-2,12-7-3)13-8-4;/h5-8H2,1-4H3;
InChIKeyLPFGAPFRSSDTTO-UHFFFAOYSA-N
MW275.44 g/mol
LogP1.10
Rot. Bonds8

About CID 159416386

CID 159416386 (PubChem CID 159416386) has the molecular formula C9H20KO5Si and a molecular weight of 275.44 g/mol.

Molecular Properties

Compound NameCID 159416386
PubChem CID159416386
Molecular FormulaC9H20KO5Si
Molecular Weight275.44 g/mol
Exact Mass275.07
IUPAC Name—
SMILESCCO[Si](OCC)(OCC)OC(=O)CC.[K]
InChIInChI=1S/C9H20O5Si.K/c1-5-9(10)14-15(11-6-2,12-7-3)13-8-4;/h5-8H2,1-4H3;
InChIKeyLPFGAPFRSSDTTO-UHFFFAOYSA-N
XLogP1.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 51.10
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

CID 87594616
CID 87594616
trimethoxysilyl propanoate
CID 87655017
triacetyloxysilyl propanoate
CID 139651068
triethoxysilyl 3,3-bis(sulfanyl)pentanoate
CID 87593886
triethoxysilyl 4,4-bis(sulfanyl)butanoate
CID 87595305
triethoxysilyl 3-sulfanylpentanoate
CID 91476176
[diacetyloxy(ethoxy)silyl] acetate
CID 12025413
triethoxysilyl 4-sulfanylhexanoate
CID 91185963
[dibromo(propanoyloxy)silyl] propanoate
CID 139686973
triethoxysilyl 2-chloro-2,2-difluoroacetate
CID 23523584
triethyl (1-methoxy-2-methylprop-1-enyl) silicate
CID 21245405
[dimethoxy(methyl)silyl] propanoate
CID 87595419

Frequently Asked Questions

What is the IUPAC name of CID 159416386?
The IUPAC name of CID 159416386 (CID 159416386) is not available.
What is the SMILES notation for CID 159416386?
The canonical SMILES for CID 159416386 is CCO[Si](OCC)(OCC)OC(=O)CC.[K].
What is the InChIKey of CID 159416386?
The InChIKey is LPFGAPFRSSDTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5Si.K/c1-5-9(10)14-15(11-6-2,12-7-3)13-8-4;/h5-8H2,1-4H3;.
What are the key properties of CID 159416386?
CID 159416386 has a molecular weight of 275.44 g/mol, XLogP of 1.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159416386 is sourced from PubChem (CID 159416386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).