(3-butyl-3-fluoroheptyl)-trimethoxysilane

C14H31FO3Si — CID 58825593

IUPAC(3-butyl-3-fluoroheptyl)-trimethoxysilane
SMILESCCCCC(F)(CCCC)CC[Si](OC)(OC)OC
InChIInChI=1S/C14H31FO3Si/c1-6-8-10-14(15,11-9-7-2)12-13-19(16-3,17-4)18-5/h6-13H2,1-5H3
InChIKeyIYQYYIUQZQSBFQ-UHFFFAOYSA-N
MW294.48 g/mol
LogP4.34
Rot. Bonds12

About (3-butyl-3-fluoroheptyl)-trimethoxysilane

(3-butyl-3-fluoroheptyl)-trimethoxysilane (PubChem CID 58825593) has the molecular formula C14H31FO3Si and a molecular weight of 294.48 g/mol. Its IUPAC name is (3-butyl-3-fluoroheptyl)-trimethoxysilane.

Molecular Properties

Compound Name(3-butyl-3-fluoroheptyl)-trimethoxysilane
PubChem CID58825593
Molecular FormulaC14H31FO3Si
Molecular Weight294.48 g/mol
Exact Mass294.20
IUPAC Name(3-butyl-3-fluoroheptyl)-trimethoxysilane
SMILESCCCCC(F)(CCCC)CC[Si](OC)(OC)OC
InChIInChI=1S/C14H31FO3Si/c1-6-8-10-14(15,11-9-7-2)12-13-19(16-3,17-4)18-5/h6-13H2,1-5H3
InChIKeyIYQYYIUQZQSBFQ-UHFFFAOYSA-N
XLogP4.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-butyl-6-fluoroundecane
CID 11424735
trimethoxy(pentacontyl)silane
CID 87930715
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
azane;trimethoxy(pentyl)silane
CID 19608931
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride
CID 173162005
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
4,4-dimethylnonadecyl(trimethoxy)silane
CID 141086042
butyl-methoxy-dipropoxysilane
CID 18672915

Frequently Asked Questions

What is the IUPAC name of (3-butyl-3-fluoroheptyl)-trimethoxysilane?
The IUPAC name of (3-butyl-3-fluoroheptyl)-trimethoxysilane (CID 58825593) is (3-butyl-3-fluoroheptyl)-trimethoxysilane.
What is the SMILES notation for (3-butyl-3-fluoroheptyl)-trimethoxysilane?
The canonical SMILES for (3-butyl-3-fluoroheptyl)-trimethoxysilane is CCCCC(F)(CCCC)CC[Si](OC)(OC)OC.
What is the InChIKey of (3-butyl-3-fluoroheptyl)-trimethoxysilane?
The InChIKey is IYQYYIUQZQSBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31FO3Si/c1-6-8-10-14(15,11-9-7-2)12-13-19(16-3,17-4)18-5/h6-13H2,1-5H3.
What are the key properties of (3-butyl-3-fluoroheptyl)-trimethoxysilane?
(3-butyl-3-fluoroheptyl)-trimethoxysilane has a molecular weight of 294.48 g/mol, XLogP of 4.34, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-3-fluoroheptyl)-trimethoxysilane is sourced from PubChem (CID 58825593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).