triheptoxy(methyl)silane

C22H48O3Si — CID 525768

IUPACtriheptoxy(methyl)silane
SMILESCCCCCCCO[Si](C)(OCCCCCCC)OCCCCCCC
InChIInChI=1S/C22H48O3Si/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h5-22H2,1-4H3
InChIKeyANIZCGCAILJFJL-UHFFFAOYSA-N
MW388.71 g/mol
LogP7.52
Rot. Bonds21

About triheptoxy(methyl)silane

triheptoxy(methyl)silane (PubChem CID 525768) has the molecular formula C22H48O3Si and a molecular weight of 388.71 g/mol. Its IUPAC name is triheptoxy(methyl)silane.

Molecular Properties

Compound Nametriheptoxy(methyl)silane
PubChem CID525768
Molecular FormulaC22H48O3Si
Molecular Weight388.71 g/mol
Exact Mass388.34
IUPAC Nametriheptoxy(methyl)silane
SMILESCCCCCCCO[Si](C)(OCCCCCCC)OCCCCCCC
InChIInChI=1S/C22H48O3Si/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h5-22H2,1-4H3
InChIKeyANIZCGCAILJFJL-UHFFFAOYSA-N
XLogP7.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.71
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

tri(icosoxy)-methylsilane
CID 163923848
methyl-tris(octadec-9-enoxy)silane
CID 91284347
hexoxy-dimethyl-nonoxysilane
CID 91741085
hexoxy-dimethyl-undecoxysilane
CID 91742305
decyl trihexyl silicate
CID 141280760
triheptyl pentyl silicate
CID 141280740
nonyl tripentyl silicate
CID 141280747
tributyl octyl silicate
CID 141280761
butyl-dimethyl-octoxysilane
CID 604386
hexadecoxy-dimethyl-octylsilane
CID 627002
bis[[hexoxy(dimethyl)silyl]oxy]-dimethylsilane
CID 22506143
dodecoxy-dimethyl-octylsilane
CID 618139

Frequently Asked Questions

What is the IUPAC name of triheptoxy(methyl)silane?
The IUPAC name of triheptoxy(methyl)silane (CID 525768) is triheptoxy(methyl)silane.
What is the SMILES notation for triheptoxy(methyl)silane?
The canonical SMILES for triheptoxy(methyl)silane is CCCCCCCO[Si](C)(OCCCCCCC)OCCCCCCC.
What is the InChIKey of triheptoxy(methyl)silane?
The InChIKey is ANIZCGCAILJFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48O3Si/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h5-22H2,1-4H3.
What are the key properties of triheptoxy(methyl)silane?
triheptoxy(methyl)silane has a molecular weight of 388.71 g/mol, XLogP of 7.52, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triheptoxy(methyl)silane is sourced from PubChem (CID 525768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).