[3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]phenoxy]-tri(propan-2-yl)silane

C29H43FOSi — CID 58660367

IUPAC[3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]phenoxy]-tri(propan-2-yl)silane
SMILESCCC1CCC(c2ccc(-c3cccc(O[Si](C(C)C)(C(C)C)C(C)C)c3)c(F)c2)CC1
InChIInChI=1S/C29H43FOSi/c1-8-23-12-14-24(15-13-23)25-16-17-28(29(30)19-25)26-10-9-11-27(18-26)31-32(20(2)3,21(4)5)22(6)7/h9-11,16-24H,8,12-15H2,1-7H3
InChIKeyCUINILXROLWRIA-UHFFFAOYSA-N
MW454.75 g/mol
LogP9.73
Rot. Bonds8

About [3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]phenoxy]-tri(propan-2-yl)silane

[3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]phenoxy]-tri(propan-2-yl)silane (PubChem CID 58660367) has the molecular formula C29H43FOSi and a molecular weight of 454.75 g/mol. Its IUPAC name is [3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]phenoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]phenoxy]-tri(propan-2-yl)silane
PubChem CID58660367
Molecular FormulaC29H43FOSi
Molecular Weight454.75 g/mol
Exact Mass454.31
IUPAC Name[3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]phenoxy]-tri(propan-2-yl)silane
SMILESCCC1CCC(c2ccc(-c3cccc(O[Si](C(C)C)(C(C)C)C(C)C)c3)c(F)c2)CC1
InChIInChI=1S/C29H43FOSi/c1-8-23-12-14-24(15-13-23)25-16-17-28(29(30)19-25)26-10-9-11-27(18-26)31-32(20(2)3,21(4)5)22(6)7/h9-11,16-24H,8,12-15H2,1-7H3
InChIKeyCUINILXROLWRIA-UHFFFAOYSA-N
XLogP9.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.75
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]phenoxy]-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]phenoxy]-tri(propan-2-yl)silane?
The IUPAC name of [3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]phenoxy]-tri(propan-2-yl)silane (CID 58660367) is [3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]phenoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]phenoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]phenoxy]-tri(propan-2-yl)silane is CCC1CCC(c2ccc(-c3cccc(O[Si](C(C)C)(C(C)C)C(C)C)c3)c(F)c2)CC1.
What is the InChIKey of [3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]phenoxy]-tri(propan-2-yl)silane?
The InChIKey is CUINILXROLWRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43FOSi/c1-8-23-12-14-24(15-13-23)25-16-17-28(29(30)19-25)26-10-9-11-27(18-26)31-32(20(2)3,21(4)5)22(6)7/h9-11,16-24H,8,12-15H2,1-7H3.
What are the key properties of [3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]phenoxy]-tri(propan-2-yl)silane?
[3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]phenoxy]-tri(propan-2-yl)silane has a molecular weight of 454.75 g/mol, XLogP of 9.73, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]phenoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 58660367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).