ethyl dimethyl pentyl silicate

C9H22O4Si — CID 88851017

IUPACethyl dimethyl pentyl silicate
SMILESCCCCCO[Si](OC)(OC)OCC
InChIInChI=1S/C9H22O4Si/c1-5-7-8-9-13-14(10-3,11-4)12-6-2/h5-9H2,1-4H3
InChIKeyRKZBPJZYZPRQSX-UHFFFAOYSA-N
MW222.36 g/mol
LogP1.96
Rot. Bonds9

About ethyl dimethyl pentyl silicate

ethyl dimethyl pentyl silicate (PubChem CID 88851017) has the molecular formula C9H22O4Si and a molecular weight of 222.36 g/mol. Its IUPAC name is ethyl dimethyl pentyl silicate.

Molecular Properties

Compound Nameethyl dimethyl pentyl silicate
PubChem CID88851017
Molecular FormulaC9H22O4Si
Molecular Weight222.36 g/mol
Exact Mass222.13
IUPAC Nameethyl dimethyl pentyl silicate
SMILESCCCCCO[Si](OC)(OC)OCC
InChIInChI=1S/C9H22O4Si/c1-5-7-8-9-13-14(10-3,11-4)12-6-2/h5-9H2,1-4H3
InChIKeyRKZBPJZYZPRQSX-UHFFFAOYSA-N
XLogP1.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl pentyl propyl silicate
CID 524721
methyl tripentyl silicate
CID 524731
diethyl dioctyl silicate
CID 154218739
tridodecyl ethyl silicate
CID 154324829
3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate
CID 141205267
dibutyl dipentyl silicate
CID 524713
nonyl tripentyl silicate
CID 141280747
decyl trihexyl silicate
CID 141280760
triheptyl pentyl silicate
CID 141280740
tributyl pentyl silicate
CID 524737
dipentyl dipropyl silicate
CID 524722
tributyl octyl silicate
CID 141280761

Frequently Asked Questions

What is the IUPAC name of ethyl dimethyl pentyl silicate?
The IUPAC name of ethyl dimethyl pentyl silicate (CID 88851017) is ethyl dimethyl pentyl silicate.
What is the SMILES notation for ethyl dimethyl pentyl silicate?
The canonical SMILES for ethyl dimethyl pentyl silicate is CCCCCO[Si](OC)(OC)OCC.
What is the InChIKey of ethyl dimethyl pentyl silicate?
The InChIKey is RKZBPJZYZPRQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O4Si/c1-5-7-8-9-13-14(10-3,11-4)12-6-2/h5-9H2,1-4H3.
What are the key properties of ethyl dimethyl pentyl silicate?
ethyl dimethyl pentyl silicate has a molecular weight of 222.36 g/mol, XLogP of 1.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl dimethyl pentyl silicate is sourced from PubChem (CID 88851017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).