3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate

C15H36O8Si2 — CID 141205267

IUPAC3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate
SMILESCCCCO[Si](OC)(OC)OCCCO[Si](OC)(OC)OCCCC
InChIInChI=1S/C15H36O8Si2/c1-7-9-12-20-24(16-3,17-4)22-14-11-15-23-25(18-5,19-6)21-13-10-8-2/h7-15H2,1-6H3
InChIKeyNOUKFOAIDIZXLD-UHFFFAOYSA-N
MW400.62 g/mol
LogP2.50
Rot. Bonds18

About 3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate

3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate (PubChem CID 141205267) has the molecular formula C15H36O8Si2 and a molecular weight of 400.62 g/mol. Its IUPAC name is 3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate.

Molecular Properties

Compound Name3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate
PubChem CID141205267
Molecular FormulaC15H36O8Si2
Molecular Weight400.62 g/mol
Exact Mass400.19
IUPAC Name3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate
SMILESCCCCO[Si](OC)(OC)OCCCO[Si](OC)(OC)OCCCC
InChIInChI=1S/C15H36O8Si2/c1-7-9-12-20-24(16-3,17-4)22-14-11-15-23-25(18-5,19-6)21-13-10-8-2/h7-15H2,1-6H3
InChIKeyNOUKFOAIDIZXLD-UHFFFAOYSA-N
XLogP2.50
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.62
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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
ethyl dimethyl pentyl silicate
CID 88851017
dibutyl dipentyl silicate
CID 524713
tributyl pentyl silicate
CID 524737
dimethyl dipropyl silicate;hydrate
CID 174450535
tributyl octyl silicate
CID 141280761
butoxy-dimethoxy-methylsilane
CID 54136554
dibutoxy-methoxy-methylsilane
CID 525738
decyl trihexyl silicate
CID 141280760
nonyl tripentyl silicate
CID 141280747
triheptyl pentyl silicate
CID 141280740

Frequently Asked Questions

What is the IUPAC name of 3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate?
The IUPAC name of 3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate (CID 141205267) is 3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate.
What is the SMILES notation for 3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate?
The canonical SMILES for 3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate is CCCCO[Si](OC)(OC)OCCCO[Si](OC)(OC)OCCCC.
What is the InChIKey of 3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate?
The InChIKey is NOUKFOAIDIZXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36O8Si2/c1-7-9-12-20-24(16-3,17-4)22-14-11-15-23-25(18-5,19-6)21-13-10-8-2/h7-15H2,1-6H3.
What are the key properties of 3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate?
3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate has a molecular weight of 400.62 g/mol, XLogP of 2.50, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate is sourced from PubChem (CID 141205267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).