2-[3-[ethoxy(dihydroxy)silyl]propyliminomethyl]phenol

C12H19NO4Si — CID 139211804

IUPAC2-[3-[ethoxy(dihydroxy)silyl]propyliminomethyl]phenol
SMILESCCO[Si](O)(O)CCC/N=C/c1ccccc1O
InChIInChI=1S/C12H19NO4Si/c1-2-17-18(15,16)9-5-8-13-10-11-6-3-4-7-12(11)14/h3-4,6-7,10,14-16H,2,5,8-9H2,1H3/b13-10+
InChIKeyWBPPBUWPPQSULD-JLHYYAGUSA-N
MW269.37 g/mol
LogP1.16
Rot. Bonds7

About 2-[3-[ethoxy(dihydroxy)silyl]propyliminomethyl]phenol

2-[3-[ethoxy(dihydroxy)silyl]propyliminomethyl]phenol (PubChem CID 139211804) has the molecular formula C12H19NO4Si and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[3-[ethoxy(dihydroxy)silyl]propyliminomethyl]phenol.

Molecular Properties

Compound Name2-[3-[ethoxy(dihydroxy)silyl]propyliminomethyl]phenol
PubChem CID139211804
Molecular FormulaC12H19NO4Si
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-[3-[ethoxy(dihydroxy)silyl]propyliminomethyl]phenol
SMILESCCO[Si](O)(O)CCC/N=C/c1ccccc1O
InChIInChI=1S/C12H19NO4Si/c1-2-17-18(15,16)9-5-8-13-10-11-6-3-4-7-12(11)14/h3-4,6-7,10,14-16H,2,5,8-9H2,1H3/b13-10+
InChIKeyWBPPBUWPPQSULD-JLHYYAGUSA-N
XLogP1.16
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

chromium(3+);2-[3-[diethoxy(methyl)silyl]propyliminomethyl]phenol;2-(3-triethoxysilylpropyliminomethyl)phenol;triacetate
CID 158818578
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 135730678
dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 135852922
2-(3-methylselanylpropyliminomethyl)phenol
CID 136817271
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
oxovanadium;bis(2-(propyliminomethyl)phenol)
CID 5242411
2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol
CID 5260284

Frequently Asked Questions

What is the IUPAC name of 2-[3-[ethoxy(dihydroxy)silyl]propyliminomethyl]phenol?
The IUPAC name of 2-[3-[ethoxy(dihydroxy)silyl]propyliminomethyl]phenol (CID 139211804) is 2-[3-[ethoxy(dihydroxy)silyl]propyliminomethyl]phenol.
What is the SMILES notation for 2-[3-[ethoxy(dihydroxy)silyl]propyliminomethyl]phenol?
The canonical SMILES for 2-[3-[ethoxy(dihydroxy)silyl]propyliminomethyl]phenol is CCO[Si](O)(O)CCC/N=C/c1ccccc1O.
What is the InChIKey of 2-[3-[ethoxy(dihydroxy)silyl]propyliminomethyl]phenol?
The InChIKey is WBPPBUWPPQSULD-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H19NO4Si/c1-2-17-18(15,16)9-5-8-13-10-11-6-3-4-7-12(11)14/h3-4,6-7,10,14-16H,2,5,8-9H2,1H3/b13-10+.
What are the key properties of 2-[3-[ethoxy(dihydroxy)silyl]propyliminomethyl]phenol?
2-[3-[ethoxy(dihydroxy)silyl]propyliminomethyl]phenol has a molecular weight of 269.37 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[ethoxy(dihydroxy)silyl]propyliminomethyl]phenol is sourced from PubChem (CID 139211804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).