[4-butoxy-3-(butoxymethyl)-3-cyclohexylbutyl]-trimethylsilane

C22H46O2Si — CID 174162292

IUPAC[4-butoxy-3-(butoxymethyl)-3-cyclohexylbutyl]-trimethylsilane
SMILESCCCCOCC(CC[Si](C)(C)C)(COCCCC)C1CCCCC1
InChIInChI=1S/C22H46O2Si/c1-6-8-16-23-19-22(15-18-25(3,4)5,20-24-17-9-7-2)21-13-11-10-12-14-21/h21H,6-20H2,1-5H3
InChIKeyZQHZYQOLSKFXBW-UHFFFAOYSA-N
MW370.69 g/mol
LogP6.91
Rot. Bonds14

About [4-butoxy-3-(butoxymethyl)-3-cyclohexylbutyl]-trimethylsilane

[4-butoxy-3-(butoxymethyl)-3-cyclohexylbutyl]-trimethylsilane (PubChem CID 174162292) has the molecular formula C22H46O2Si and a molecular weight of 370.69 g/mol. Its IUPAC name is [4-butoxy-3-(butoxymethyl)-3-cyclohexylbutyl]-trimethylsilane.

Molecular Properties

Compound Name[4-butoxy-3-(butoxymethyl)-3-cyclohexylbutyl]-trimethylsilane
PubChem CID174162292
Molecular FormulaC22H46O2Si
Molecular Weight370.69 g/mol
Exact Mass370.33
IUPAC Name[4-butoxy-3-(butoxymethyl)-3-cyclohexylbutyl]-trimethylsilane
SMILESCCCCOCC(CC[Si](C)(C)C)(COCCCC)C1CCCCC1
InChIInChI=1S/C22H46O2Si/c1-6-8-16-23-19-22(15-18-25(3,4)5,20-24-17-9-7-2)21-13-11-10-12-14-21/h21H,6-20H2,1-5H3
InChIKeyZQHZYQOLSKFXBW-UHFFFAOYSA-N
XLogP6.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-butoxy-3-(butoxymethyl)-3-cyclohexylbutyl]-trimethylsilane?
The IUPAC name of [4-butoxy-3-(butoxymethyl)-3-cyclohexylbutyl]-trimethylsilane (CID 174162292) is [4-butoxy-3-(butoxymethyl)-3-cyclohexylbutyl]-trimethylsilane.
What is the SMILES notation for [4-butoxy-3-(butoxymethyl)-3-cyclohexylbutyl]-trimethylsilane?
The canonical SMILES for [4-butoxy-3-(butoxymethyl)-3-cyclohexylbutyl]-trimethylsilane is CCCCOCC(CC[Si](C)(C)C)(COCCCC)C1CCCCC1.
What is the InChIKey of [4-butoxy-3-(butoxymethyl)-3-cyclohexylbutyl]-trimethylsilane?
The InChIKey is ZQHZYQOLSKFXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2Si/c1-6-8-16-23-19-22(15-18-25(3,4)5,20-24-17-9-7-2)21-13-11-10-12-14-21/h21H,6-20H2,1-5H3.
What are the key properties of [4-butoxy-3-(butoxymethyl)-3-cyclohexylbutyl]-trimethylsilane?
[4-butoxy-3-(butoxymethyl)-3-cyclohexylbutyl]-trimethylsilane has a molecular weight of 370.69 g/mol, XLogP of 6.91, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-butoxy-3-(butoxymethyl)-3-cyclohexylbutyl]-trimethylsilane is sourced from PubChem (CID 174162292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).