fluoro(trihexoxy)silane

C18H39FO3Si — CID 139977145

IUPACfluoro(trihexoxy)silane
SMILESCCCCCCO[Si](F)(OCCCCCC)OCCCCCC
InChIInChI=1S/C18H39FO3Si/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3
InChIKeyLLPZGNIBHCMRNT-UHFFFAOYSA-N
MW350.59 g/mol
LogP6.18
Rot. Bonds18

About fluoro(trihexoxy)silane

fluoro(trihexoxy)silane (PubChem CID 139977145) has the molecular formula C18H39FO3Si and a molecular weight of 350.59 g/mol. Its IUPAC name is fluoro(trihexoxy)silane.

Molecular Properties

Compound Namefluoro(trihexoxy)silane
PubChem CID139977145
Molecular FormulaC18H39FO3Si
Molecular Weight350.59 g/mol
Exact Mass350.27
IUPAC Namefluoro(trihexoxy)silane
SMILESCCCCCCO[Si](F)(OCCCCCC)OCCCCCC
InChIInChI=1S/C18H39FO3Si/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3
InChIKeyLLPZGNIBHCMRNT-UHFFFAOYSA-N
XLogP6.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 56.18
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

decyl trihexyl silicate
CID 141280760
triheptyl pentyl silicate
CID 141280740
nonyl tripentyl silicate
CID 141280747
triheptoxy(methyl)silane
CID 525768
hexoxy-dimethyl-nonoxysilane
CID 91741085
tri(icosoxy)-methylsilane
CID 163923848
tributyl octyl silicate
CID 141280761
hexoxy-dimethyl-undecoxysilane
CID 91742305
trihydroxy(tetradecoxy)silane
CID 87382904
didodecoxy(dihydroxy)silane
CID 175350678
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145

Frequently Asked Questions

What is the IUPAC name of fluoro(trihexoxy)silane?
The IUPAC name of fluoro(trihexoxy)silane (CID 139977145) is fluoro(trihexoxy)silane.
What is the SMILES notation for fluoro(trihexoxy)silane?
The canonical SMILES for fluoro(trihexoxy)silane is CCCCCCO[Si](F)(OCCCCCC)OCCCCCC.
What is the InChIKey of fluoro(trihexoxy)silane?
The InChIKey is LLPZGNIBHCMRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39FO3Si/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3.
What are the key properties of fluoro(trihexoxy)silane?
fluoro(trihexoxy)silane has a molecular weight of 350.59 g/mol, XLogP of 6.18, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(trihexoxy)silane is sourced from PubChem (CID 139977145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).