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

C18H25F5OSi — CID 90170308

IUPAChydroxy-[4-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]-di(propan-2-yl)silane
SMILESCC(C)[Si](O)(C(C)C)C1CCC(c2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C18H25F5OSi/c1-9(2)25(24,10(3)4)12-7-5-11(6-8-12)13-14(19)16(21)18(23)17(22)15(13)20/h9-12,24H,5-8H2,1-4H3
InChIKeyORIUIVGAQJUCRH-UHFFFAOYSA-N
MW380.47 g/mol
LogP6.17
Rot. Bonds4

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

hydroxy-[4-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]-di(propan-2-yl)silane (PubChem CID 90170308) has the molecular formula C18H25F5OSi and a molecular weight of 380.47 g/mol. Its IUPAC name is hydroxy-[4-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]-di(propan-2-yl)silane.

Molecular Properties

Compound Namehydroxy-[4-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]-di(propan-2-yl)silane
PubChem CID90170308
Molecular FormulaC18H25F5OSi
Molecular Weight380.47 g/mol
Exact Mass380.16
IUPAC Namehydroxy-[4-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]-di(propan-2-yl)silane
SMILESCC(C)[Si](O)(C(C)C)C1CCC(c2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C18H25F5OSi/c1-9(2)25(24,10(3)4)12-7-5-11(6-8-12)13-14(19)16(21)18(23)17(22)15(13)20/h9-12,24H,5-8H2,1-4H3
InChIKeyORIUIVGAQJUCRH-UHFFFAOYSA-N
XLogP6.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-[4-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]-di(propan-2-yl)silane?
The IUPAC name of hydroxy-[4-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]-di(propan-2-yl)silane (CID 90170308) is hydroxy-[4-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]-di(propan-2-yl)silane.
What is the SMILES notation for hydroxy-[4-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]-di(propan-2-yl)silane?
The canonical SMILES for hydroxy-[4-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]-di(propan-2-yl)silane is CC(C)[Si](O)(C(C)C)C1CCC(c2c(F)c(F)c(F)c(F)c2F)CC1.
What is the InChIKey of hydroxy-[4-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]-di(propan-2-yl)silane?
The InChIKey is ORIUIVGAQJUCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F5OSi/c1-9(2)25(24,10(3)4)12-7-5-11(6-8-12)13-14(19)16(21)18(23)17(22)15(13)20/h9-12,24H,5-8H2,1-4H3.
What are the key properties of hydroxy-[4-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]-di(propan-2-yl)silane?
hydroxy-[4-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]-di(propan-2-yl)silane has a molecular weight of 380.47 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[4-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]-di(propan-2-yl)silane is sourced from PubChem (CID 90170308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).