2-butylphenol;bis([dimethyl-(trimethylsilylamino)silyl]methane)

C22H52N2OSi4 — CID 172826507

IUPAC2-butylphenol;bis([dimethyl-(trimethylsilylamino)silyl]methane)
SMILESCCCCc1ccccc1O.C[Si](C)(C)N[Si](C)(C)C.C[Si](C)(C)N[Si](C)(C)C
InChIInChI=1S/C10H14O.2C6H19NSi2/c1-2-3-6-9-7-4-5-8-10(9)11;2*1-8(2,3)7-9(4,5)6/h4-5,7-8,11H,2-3,6H2,1H3;2*7H,1-6H3
InChIKeyUXYGPJRYHNOOHL-UHFFFAOYSA-N
MW473.02 g/mol
LogP7.23
Rot. Bonds7

About 2-butylphenol;bis([dimethyl-(trimethylsilylamino)silyl]methane)

2-butylphenol;bis([dimethyl-(trimethylsilylamino)silyl]methane) (PubChem CID 172826507) has the molecular formula C22H52N2OSi4 and a molecular weight of 473.02 g/mol. Its IUPAC name is 2-butylphenol;bis([dimethyl-(trimethylsilylamino)silyl]methane).

Molecular Properties

Compound Name2-butylphenol;bis([dimethyl-(trimethylsilylamino)silyl]methane)
PubChem CID172826507
Molecular FormulaC22H52N2OSi4
Molecular Weight473.02 g/mol
Exact Mass472.32
IUPAC Name2-butylphenol;bis([dimethyl-(trimethylsilylamino)silyl]methane)
SMILESCCCCc1ccccc1O.C[Si](C)(C)N[Si](C)(C)C.C[Si](C)(C)N[Si](C)(C)C
InChIInChI=1S/C10H14O.2C6H19NSi2/c1-2-3-6-9-7-4-5-8-10(9)11;2*1-8(2,3)7-9(4,5)6/h4-5,7-8,11H,2-3,6H2,1H3;2*7H,1-6H3
InChIKeyUXYGPJRYHNOOHL-UHFFFAOYSA-N
XLogP7.23
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.02
LogP ≤ 57.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-dodecylphenol
CID 160834917
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
tris(2-nonylphenol);phosphite
CID 21116114
lithium;2-dodecylphenol;hydride
CID 174657819
ethene;2-nonylphenol
CID 66616289
disodium;hydride;2-nonylphenol
CID 175531956
2-decylphenol;hydrazine
CID 159983030
formaldehyde;2-octadecylphenol
CID 67830879
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
carbonic acid;bis(2-nonylphenol)
CID 69221300

Frequently Asked Questions

What is the IUPAC name of 2-butylphenol;bis([dimethyl-(trimethylsilylamino)silyl]methane)?
The IUPAC name of 2-butylphenol;bis([dimethyl-(trimethylsilylamino)silyl]methane) (CID 172826507) is 2-butylphenol;bis([dimethyl-(trimethylsilylamino)silyl]methane).
What is the SMILES notation for 2-butylphenol;bis([dimethyl-(trimethylsilylamino)silyl]methane)?
The canonical SMILES for 2-butylphenol;bis([dimethyl-(trimethylsilylamino)silyl]methane) is CCCCc1ccccc1O.C[Si](C)(C)N[Si](C)(C)C.C[Si](C)(C)N[Si](C)(C)C.
What is the InChIKey of 2-butylphenol;bis([dimethyl-(trimethylsilylamino)silyl]methane)?
The InChIKey is UXYGPJRYHNOOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.2C6H19NSi2/c1-2-3-6-9-7-4-5-8-10(9)11;2*1-8(2,3)7-9(4,5)6/h4-5,7-8,11H,2-3,6H2,1H3;2*7H,1-6H3.
What are the key properties of 2-butylphenol;bis([dimethyl-(trimethylsilylamino)silyl]methane)?
2-butylphenol;bis([dimethyl-(trimethylsilylamino)silyl]methane) has a molecular weight of 473.02 g/mol, XLogP of 7.23, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylphenol;bis([dimethyl-(trimethylsilylamino)silyl]methane) is sourced from PubChem (CID 172826507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).