(4-fluorophenyl)-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane

C27H45FO2Si — CID 593487

IUPAC(4-fluorophenyl)-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane
SMILESCC1CCC(C(C)C)C(O[Si](C)(OC2CC(C)CCC2C(C)C)c2ccc(F)cc2)C1
InChIInChI=1S/C27H45FO2Si/c1-18(2)24-14-8-20(5)16-26(24)29-31(7,23-12-10-22(28)11-13-23)30-27-17-21(6)9-15-25(27)19(3)4/h10-13,18-21,24-27H,8-9,14-17H2,1-7H3
InChIKeyWIIJMQDUTWPUGK-UHFFFAOYSA-N
MW448.74 g/mol
LogP7.06
Rot. Bonds7

About (4-fluorophenyl)-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane

(4-fluorophenyl)-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane (PubChem CID 593487) has the molecular formula C27H45FO2Si and a molecular weight of 448.74 g/mol. Its IUPAC name is (4-fluorophenyl)-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane.

Molecular Properties

Compound Name(4-fluorophenyl)-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane
PubChem CID593487
Molecular FormulaC27H45FO2Si
Molecular Weight448.74 g/mol
Exact Mass448.32
IUPAC Name(4-fluorophenyl)-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane
SMILESCC1CCC(C(C)C)C(O[Si](C)(OC2CC(C)CCC2C(C)C)c2ccc(F)cc2)C1
InChIInChI=1S/C27H45FO2Si/c1-18(2)24-14-8-20(5)16-26(24)29-31(7,23-12-10-22(28)11-13-23)30-27-17-21(6)9-15-25(27)19(3)4/h10-13,18-21,24-27H,8-9,14-17H2,1-7H3
InChIKeyWIIJMQDUTWPUGK-UHFFFAOYSA-N
XLogP7.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.74
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane?
The IUPAC name of (4-fluorophenyl)-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane (CID 593487) is (4-fluorophenyl)-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane.
What is the SMILES notation for (4-fluorophenyl)-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane?
The canonical SMILES for (4-fluorophenyl)-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane is CC1CCC(C(C)C)C(O[Si](C)(OC2CC(C)CCC2C(C)C)c2ccc(F)cc2)C1.
What is the InChIKey of (4-fluorophenyl)-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane?
The InChIKey is WIIJMQDUTWPUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45FO2Si/c1-18(2)24-14-8-20(5)16-26(24)29-31(7,23-12-10-22(28)11-13-23)30-27-17-21(6)9-15-25(27)19(3)4/h10-13,18-21,24-27H,8-9,14-17H2,1-7H3.
What are the key properties of (4-fluorophenyl)-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane?
(4-fluorophenyl)-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane has a molecular weight of 448.74 g/mol, XLogP of 7.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-methyl-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]silane is sourced from PubChem (CID 593487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).