[[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol

C24H36O4Si — CID 140892730

IUPAC[[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol
SMILESCCCCCO[Si](OCCCCC)(C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C24H36O4Si/c1-3-5-13-19-27-29(28-20-14-6-4-2,23(25)21-15-9-7-10-16-21)24(26)22-17-11-8-12-18-22/h7-12,15-18,23-26H,3-6,13-14,19-20H2,1-2H3
InChIKeyJMFGCBCFTFGAGO-UHFFFAOYSA-N
MW416.63 g/mol
LogP5.39
Rot. Bonds14

About [[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol

[[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol (PubChem CID 140892730) has the molecular formula C24H36O4Si and a molecular weight of 416.63 g/mol. Its IUPAC name is [[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol.

Molecular Properties

Compound Name[[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol
PubChem CID140892730
Molecular FormulaC24H36O4Si
Molecular Weight416.63 g/mol
Exact Mass416.24
IUPAC Name[[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol
SMILESCCCCCO[Si](OCCCCC)(C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C24H36O4Si/c1-3-5-13-19-27-29(28-20-14-6-4-2,23(25)21-15-9-7-10-16-21)24(26)22-17-11-8-12-18-22/h7-12,15-18,23-26H,3-6,13-14,19-20H2,1-2H3
InChIKeyJMFGCBCFTFGAGO-UHFFFAOYSA-N
XLogP5.39
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.63
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[dipentoxy(propyl)silyl]-phenylmethanol
CID 140892766
octadecoxy(phenyl)methanol
CID 141167921
nonoxy(phenyl)methanol
CID 70405769
pentyl (2R)-2-hydroxy-2-phenylacetate
CID 67071786
diethyl-(1-phenylpropoxy)-undecoxysilane
CID 91743912
didecoxymethylbenzene
CID 150039155
CID 66774480
CID 66774480
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
[diethoxy(methyl)silyl]-phenylmethanol
CID 140892861
1-pentoxypropylbenzene
CID 57033372
(1R)-1-phenyloctan-1-ol
CID 12794259
[chloro(pentoxy)methyl]benzene
CID 141305175

Frequently Asked Questions

What is the IUPAC name of [[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol?
The IUPAC name of [[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol (CID 140892730) is [[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol.
What is the SMILES notation for [[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol?
The canonical SMILES for [[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol is CCCCCO[Si](OCCCCC)(C(O)c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of [[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol?
The InChIKey is JMFGCBCFTFGAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O4Si/c1-3-5-13-19-27-29(28-20-14-6-4-2,23(25)21-15-9-7-10-16-21)24(26)22-17-11-8-12-18-22/h7-12,15-18,23-26H,3-6,13-14,19-20H2,1-2H3.
What are the key properties of [[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol?
[[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol has a molecular weight of 416.63 g/mol, XLogP of 5.39, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol is sourced from PubChem (CID 140892730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).