hydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane

C13H20O3Si — CID 101402997

IUPAChydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane
SMILESC[Si](O)(CCCOCC1CO1)c1ccccc1
InChIInChI=1S/C13H20O3Si/c1-17(14,13-6-3-2-4-7-13)9-5-8-15-10-12-11-16-12/h2-4,6-7,12,14H,5,8-11H2,1H3
InChIKeyQXACUVLXQLDOQO-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.27
Rot. Bonds7

About hydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane

hydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane (PubChem CID 101402997) has the molecular formula C13H20O3Si and a molecular weight of 252.39 g/mol. Its IUPAC name is hydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane.

Molecular Properties

Compound Namehydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane
PubChem CID101402997
Molecular FormulaC13H20O3Si
Molecular Weight252.39 g/mol
Exact Mass252.12
IUPAC Namehydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane
SMILESC[Si](O)(CCCOCC1CO1)c1ccccc1
InChIInChI=1S/C13H20O3Si/c1-17(14,13-6-3-2-4-7-13)9-5-8-15-10-12-11-16-12/h2-4,6-7,12,14H,5,8-11H2,1H3
InChIKeyQXACUVLXQLDOQO-UHFFFAOYSA-N
XLogP1.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.27
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

dibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane
CID 139765356
diethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane
CID 157211120
[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 14419243
triethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 87370600
diethoxy-[2-(oxiran-2-ylmethoxy)ethyl]-phenylsilane
CID 139765334
1,7-bis[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol
CID 162446231
hydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane
CID 142708425
butyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 142708399
hydroxy-[4-[hydroxy-methyl-[4-(oxiran-2-yl)butyl]silyl]phenyl]-methyl-[4-(oxiran-2-yl)butyl]silane
CID 102273236
[acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate
CID 22292670
trimethyl-[2-[3-(oxiran-2-ylmethoxy)propyl]phenyl]silane
CID 141423011
2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane
CID 174818397

Frequently Asked Questions

What is the IUPAC name of hydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane?
The IUPAC name of hydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane (CID 101402997) is hydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane.
What is the SMILES notation for hydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane?
The canonical SMILES for hydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane is C[Si](O)(CCCOCC1CO1)c1ccccc1.
What is the InChIKey of hydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane?
The InChIKey is QXACUVLXQLDOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3Si/c1-17(14,13-6-3-2-4-7-13)9-5-8-15-10-12-11-16-12/h2-4,6-7,12,14H,5,8-11H2,1H3.
What are the key properties of hydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane?
hydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane has a molecular weight of 252.39 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane is sourced from PubChem (CID 101402997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).