[4-[1-(4-methoxyphenyl)butyl]phenyl]-trimethylsilane

C20H28OSi — CID 166440129

IUPAC[4-[1-(4-methoxyphenyl)butyl]phenyl]-trimethylsilane
SMILESCCCC(c1ccc(OC)cc1)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C20H28OSi/c1-6-7-20(16-8-12-18(21-2)13-9-16)17-10-14-19(15-11-17)22(3,4)5/h8-15,20H,6-7H2,1-5H3
InChIKeyPVWFYIWGMBGRKB-UHFFFAOYSA-N
MW312.53 g/mol
LogP5.17
Rot. Bonds6

About [4-[1-(4-methoxyphenyl)butyl]phenyl]-trimethylsilane

[4-[1-(4-methoxyphenyl)butyl]phenyl]-trimethylsilane (PubChem CID 166440129) has the molecular formula C20H28OSi and a molecular weight of 312.53 g/mol. Its IUPAC name is [4-[1-(4-methoxyphenyl)butyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[1-(4-methoxyphenyl)butyl]phenyl]-trimethylsilane
PubChem CID166440129
Molecular FormulaC20H28OSi
Molecular Weight312.53 g/mol
Exact Mass312.19
IUPAC Name[4-[1-(4-methoxyphenyl)butyl]phenyl]-trimethylsilane
SMILESCCCC(c1ccc(OC)cc1)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C20H28OSi/c1-6-7-20(16-8-12-18(21-2)13-9-16)17-10-14-19(15-11-17)22(3,4)5/h8-15,20H,6-7H2,1-5H3
InChIKeyPVWFYIWGMBGRKB-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.53
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[1-(4-methoxyphenyl)octyl]benzene
CID 10520209
1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672
1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
CID 57185259
1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene
CID 173290685
1-methoxy-4-nonan-5-ylbenzene
CID 14937032
1-[(2R)-hexan-2-yl]-4-methoxybenzene
CID 134898534
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
3-(4-methoxyphenyl)heptane-2,4-diol
CID 21414884
1-(4-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 82984124
1-(4-methoxyphenyl)-N'-methyl-N'-pentan-2-ylethane-1,2-diamine
CID 43572006
N-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine
CID 82985129
2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine
CID 82040389

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-methoxyphenyl)butyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[1-(4-methoxyphenyl)butyl]phenyl]-trimethylsilane (CID 166440129) is [4-[1-(4-methoxyphenyl)butyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[1-(4-methoxyphenyl)butyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[1-(4-methoxyphenyl)butyl]phenyl]-trimethylsilane is CCCC(c1ccc(OC)cc1)c1ccc([Si](C)(C)C)cc1.
What is the InChIKey of [4-[1-(4-methoxyphenyl)butyl]phenyl]-trimethylsilane?
The InChIKey is PVWFYIWGMBGRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28OSi/c1-6-7-20(16-8-12-18(21-2)13-9-16)17-10-14-19(15-11-17)22(3,4)5/h8-15,20H,6-7H2,1-5H3.
What are the key properties of [4-[1-(4-methoxyphenyl)butyl]phenyl]-trimethylsilane?
[4-[1-(4-methoxyphenyl)butyl]phenyl]-trimethylsilane has a molecular weight of 312.53 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-methoxyphenyl)butyl]phenyl]-trimethylsilane is sourced from PubChem (CID 166440129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).