[4-[(4-fluoro-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-tri(propan-2-yl)silane

C27H41FOSi — CID 66643085

IUPAC[4-[(4-fluoro-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-tri(propan-2-yl)silane
SMILESCc1cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(C)c1Cc1ccc(F)c(C(C)C)c1
InChIInChI=1S/C27H41FOSi/c1-17(2)25-15-23(11-12-27(25)28)16-26-21(9)13-24(14-22(26)10)29-30(18(3)4,19(5)6)20(7)8/h11-15,17-20H,16H2,1-10H3
InChIKeyNCPQCXSHMMRKNC-UHFFFAOYSA-N
MW428.71 g/mol
LogP8.71
Rot. Bonds8

About [4-[(4-fluoro-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-tri(propan-2-yl)silane

[4-[(4-fluoro-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-tri(propan-2-yl)silane (PubChem CID 66643085) has the molecular formula C27H41FOSi and a molecular weight of 428.71 g/mol. Its IUPAC name is [4-[(4-fluoro-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[4-[(4-fluoro-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-tri(propan-2-yl)silane
PubChem CID66643085
Molecular FormulaC27H41FOSi
Molecular Weight428.71 g/mol
Exact Mass428.29
IUPAC Name[4-[(4-fluoro-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-tri(propan-2-yl)silane
SMILESCc1cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(C)c1Cc1ccc(F)c(C(C)C)c1
InChIInChI=1S/C27H41FOSi/c1-17(2)25-15-23(11-12-27(25)28)16-26-21(9)13-24(14-22(26)10)29-30(18(3)4,19(5)6)20(7)8/h11-15,17-20H,16H2,1-10H3
InChIKeyNCPQCXSHMMRKNC-UHFFFAOYSA-N
XLogP8.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.71
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(4-fluoro-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-tri(propan-2-yl)silane?
The IUPAC name of [4-[(4-fluoro-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-tri(propan-2-yl)silane (CID 66643085) is [4-[(4-fluoro-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [4-[(4-fluoro-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [4-[(4-fluoro-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-tri(propan-2-yl)silane is Cc1cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(C)c1Cc1ccc(F)c(C(C)C)c1.
What is the InChIKey of [4-[(4-fluoro-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-tri(propan-2-yl)silane?
The InChIKey is NCPQCXSHMMRKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41FOSi/c1-17(2)25-15-23(11-12-27(25)28)16-26-21(9)13-24(14-22(26)10)29-30(18(3)4,19(5)6)20(7)8/h11-15,17-20H,16H2,1-10H3.
What are the key properties of [4-[(4-fluoro-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-tri(propan-2-yl)silane?
[4-[(4-fluoro-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-tri(propan-2-yl)silane has a molecular weight of 428.71 g/mol, XLogP of 8.71, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluoro-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 66643085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).