[dipentoxy(propyl)silyl]-phenylmethanol

C20H36O3Si — CID 140892766

IUPAC[dipentoxy(propyl)silyl]-phenylmethanol
SMILESCCCCCO[Si](CCC)(OCCCCC)C(O)c1ccccc1
InChIInChI=1S/C20H36O3Si/c1-4-7-12-16-22-24(18-6-3,23-17-13-8-5-2)20(21)19-14-10-9-11-15-19/h9-11,14-15,20-21H,4-8,12-13,16-18H2,1-3H3
InChIKeyYJMJOOUZWYZQCU-UHFFFAOYSA-N
MW352.59 g/mol
LogP5.53
Rot. Bonds14

About [dipentoxy(propyl)silyl]-phenylmethanol

[dipentoxy(propyl)silyl]-phenylmethanol (PubChem CID 140892766) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is [dipentoxy(propyl)silyl]-phenylmethanol.

Molecular Properties

Compound Name[dipentoxy(propyl)silyl]-phenylmethanol
PubChem CID140892766
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Name[dipentoxy(propyl)silyl]-phenylmethanol
SMILESCCCCCO[Si](CCC)(OCCCCC)C(O)c1ccccc1
InChIInChI=1S/C20H36O3Si/c1-4-7-12-16-22-24(18-6-3,23-17-13-8-5-2)20(21)19-14-10-9-11-15-19/h9-11,14-15,20-21H,4-8,12-13,16-18H2,1-3H3
InChIKeyYJMJOOUZWYZQCU-UHFFFAOYSA-N
XLogP5.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol
CID 140892730
pentyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 2057392
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
tributyl(3-phenylpropoxy)silane
CID 624018

Frequently Asked Questions

What is the IUPAC name of [dipentoxy(propyl)silyl]-phenylmethanol?
The IUPAC name of [dipentoxy(propyl)silyl]-phenylmethanol (CID 140892766) is [dipentoxy(propyl)silyl]-phenylmethanol.
What is the SMILES notation for [dipentoxy(propyl)silyl]-phenylmethanol?
The canonical SMILES for [dipentoxy(propyl)silyl]-phenylmethanol is CCCCCO[Si](CCC)(OCCCCC)C(O)c1ccccc1.
What is the InChIKey of [dipentoxy(propyl)silyl]-phenylmethanol?
The InChIKey is YJMJOOUZWYZQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3Si/c1-4-7-12-16-22-24(18-6-3,23-17-13-8-5-2)20(21)19-14-10-9-11-15-19/h9-11,14-15,20-21H,4-8,12-13,16-18H2,1-3H3.
What are the key properties of [dipentoxy(propyl)silyl]-phenylmethanol?
[dipentoxy(propyl)silyl]-phenylmethanol has a molecular weight of 352.59 g/mol, XLogP of 5.53, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dipentoxy(propyl)silyl]-phenylmethanol is sourced from PubChem (CID 140892766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).