[5-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-prop-2-enylphenoxy]-tri(propan-2-yl)silane

C32H47FOSi — CID 58660761

IUPAC[5-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-prop-2-enylphenoxy]-tri(propan-2-yl)silane
SMILESC=CCc1ccc(-c2ccc(C3CCC(CC)CC3)cc2F)cc1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C32H47FOSi/c1-9-11-27-16-17-29(21-32(27)34-35(22(3)4,23(5)6)24(7)8)30-19-18-28(20-31(30)33)26-14-12-25(10-2)13-15-26/h9,16-26H,1,10-15H2,2-8H3
InChIKeyPQZVBUVZVOXIOC-UHFFFAOYSA-N
MW494.81 g/mol
LogP10.46
Rot. Bonds10

About [5-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-prop-2-enylphenoxy]-tri(propan-2-yl)silane

[5-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-prop-2-enylphenoxy]-tri(propan-2-yl)silane (PubChem CID 58660761) has the molecular formula C32H47FOSi and a molecular weight of 494.81 g/mol. Its IUPAC name is [5-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-prop-2-enylphenoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[5-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-prop-2-enylphenoxy]-tri(propan-2-yl)silane
PubChem CID58660761
Molecular FormulaC32H47FOSi
Molecular Weight494.81 g/mol
Exact Mass494.34
IUPAC Name[5-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-prop-2-enylphenoxy]-tri(propan-2-yl)silane
SMILESC=CCc1ccc(-c2ccc(C3CCC(CC)CC3)cc2F)cc1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C32H47FOSi/c1-9-11-27-16-17-29(21-32(27)34-35(22(3)4,23(5)6)24(7)8)30-19-18-28(20-31(30)33)26-14-12-25(10-2)13-15-26/h9,16-26H,1,10-15H2,2-8H3
InChIKeyPQZVBUVZVOXIOC-UHFFFAOYSA-N
XLogP10.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.81
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-prop-2-enylphenoxy]-tri(propan-2-yl)silane?
The IUPAC name of [5-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-prop-2-enylphenoxy]-tri(propan-2-yl)silane (CID 58660761) is [5-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-prop-2-enylphenoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [5-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-prop-2-enylphenoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [5-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-prop-2-enylphenoxy]-tri(propan-2-yl)silane is C=CCc1ccc(-c2ccc(C3CCC(CC)CC3)cc2F)cc1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [5-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-prop-2-enylphenoxy]-tri(propan-2-yl)silane?
The InChIKey is PQZVBUVZVOXIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47FOSi/c1-9-11-27-16-17-29(21-32(27)34-35(22(3)4,23(5)6)24(7)8)30-19-18-28(20-31(30)33)26-14-12-25(10-2)13-15-26/h9,16-26H,1,10-15H2,2-8H3.
What are the key properties of [5-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-prop-2-enylphenoxy]-tri(propan-2-yl)silane?
[5-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-prop-2-enylphenoxy]-tri(propan-2-yl)silane has a molecular weight of 494.81 g/mol, XLogP of 10.46, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-prop-2-enylphenoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 58660761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).