heptadecoxy-dimethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane

C26H43F5O2Si — CID 91745817

IUPACheptadecoxy-dimethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane
SMILESCCCCCCCCCCCCCCCCCO[Si](C)(C)OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C26H43F5O2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32-34(2,3)33-20-21-22(27)24(29)26(31)25(30)23(21)28/h4-20H2,1-3H3
InChIKeyGHRKOCKAMISCMY-UHFFFAOYSA-N
MW510.70 g/mol
LogP9.49
Rot. Bonds20

About heptadecoxy-dimethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane

heptadecoxy-dimethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane (PubChem CID 91745817) has the molecular formula C26H43F5O2Si and a molecular weight of 510.70 g/mol. Its IUPAC name is heptadecoxy-dimethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane.

Molecular Properties

Compound Nameheptadecoxy-dimethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane
PubChem CID91745817
Molecular FormulaC26H43F5O2Si
Molecular Weight510.70 g/mol
Exact Mass510.30
IUPAC Nameheptadecoxy-dimethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane
SMILESCCCCCCCCCCCCCCCCCO[Si](C)(C)OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C26H43F5O2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32-34(2,3)33-20-21-22(27)24(29)26(31)25(30)23(21)28/h4-20H2,1-3H3
InChIKeyGHRKOCKAMISCMY-UHFFFAOYSA-N
XLogP9.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.70
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

diethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]-undecoxysilane
CID 91745150
diethyl-nonoxy-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane
CID 91744672
hexoxy-dimethyl-undecoxysilane
CID 91742305
hexoxy-dimethyl-nonoxysilane
CID 91741085
bis[[hexoxy(dimethyl)silyl]oxy]-dimethylsilane
CID 22506143
(4-methoxyphenyl)methoxy-dimethyl-pentadecoxysilane
CID 91711163
decyl trihexyl silicate
CID 141280760
triheptyl pentyl silicate
CID 141280740
nonyl tripentyl silicate
CID 141280747
bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-dimethylsilane
CID 101356644
docosoxy-dimethyl-(2-methylpropoxy)silane
CID 91745391
hexadecoxy-dimethyl-(4-methylpentoxy)silane
CID 91744434

Frequently Asked Questions

What is the IUPAC name of heptadecoxy-dimethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane?
The IUPAC name of heptadecoxy-dimethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane (CID 91745817) is heptadecoxy-dimethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane.
What is the SMILES notation for heptadecoxy-dimethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane?
The canonical SMILES for heptadecoxy-dimethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane is CCCCCCCCCCCCCCCCCO[Si](C)(C)OCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of heptadecoxy-dimethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane?
The InChIKey is GHRKOCKAMISCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43F5O2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32-34(2,3)33-20-21-22(27)24(29)26(31)25(30)23(21)28/h4-20H2,1-3H3.
What are the key properties of heptadecoxy-dimethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane?
heptadecoxy-dimethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane has a molecular weight of 510.70 g/mol, XLogP of 9.49, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecoxy-dimethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane is sourced from PubChem (CID 91745817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).