hydroxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]-di(propan-2-yl)silane

C19H29F5OSi — CID 90171678

IUPAChydroxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]-di(propan-2-yl)silane
SMILESCC(C)[Si](O)(CCCCCCCc1c(F)c(F)c(F)c(F)c1F)C(C)C
InChIInChI=1S/C19H29F5OSi/c1-12(2)26(25,13(3)4)11-9-7-5-6-8-10-14-15(20)17(22)19(24)18(23)16(14)21/h12-13,25H,5-11H2,1-4H3
InChIKeyPJPJPAKXXPRZMK-UHFFFAOYSA-N
MW396.52 g/mol
LogP6.63
Rot. Bonds10

About hydroxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]-di(propan-2-yl)silane

hydroxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]-di(propan-2-yl)silane (PubChem CID 90171678) has the molecular formula C19H29F5OSi and a molecular weight of 396.52 g/mol. Its IUPAC name is hydroxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]-di(propan-2-yl)silane.

Molecular Properties

Compound Namehydroxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]-di(propan-2-yl)silane
PubChem CID90171678
Molecular FormulaC19H29F5OSi
Molecular Weight396.52 g/mol
Exact Mass396.19
IUPAC Namehydroxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]-di(propan-2-yl)silane
SMILESCC(C)[Si](O)(CCCCCCCc1c(F)c(F)c(F)c(F)c1F)C(C)C
InChIInChI=1S/C19H29F5OSi/c1-12(2)26(25,13(3)4)11-9-7-5-6-8-10-14-15(20)17(22)19(24)18(23)16(14)21/h12-13,25H,5-11H2,1-4H3
InChIKeyPJPJPAKXXPRZMK-UHFFFAOYSA-N
XLogP6.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.52
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of hydroxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]-di(propan-2-yl)silane?
The IUPAC name of hydroxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]-di(propan-2-yl)silane (CID 90171678) is hydroxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]-di(propan-2-yl)silane.
What is the SMILES notation for hydroxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]-di(propan-2-yl)silane?
The canonical SMILES for hydroxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]-di(propan-2-yl)silane is CC(C)[Si](O)(CCCCCCCc1c(F)c(F)c(F)c(F)c1F)C(C)C.
What is the InChIKey of hydroxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]-di(propan-2-yl)silane?
The InChIKey is PJPJPAKXXPRZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F5OSi/c1-12(2)26(25,13(3)4)11-9-7-5-6-8-10-14-15(20)17(22)19(24)18(23)16(14)21/h12-13,25H,5-11H2,1-4H3.
What are the key properties of hydroxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]-di(propan-2-yl)silane?
hydroxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]-di(propan-2-yl)silane has a molecular weight of 396.52 g/mol, XLogP of 6.63, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]-di(propan-2-yl)silane is sourced from PubChem (CID 90171678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).