hydroxy-(2-methylpropyl)-bis[3-(oxiran-2-ylmethoxy)propyl]silane

C16H32O5Si — CID 142708381

IUPAChydroxy-(2-methylpropyl)-bis[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCC(C)C[Si](O)(CCCOCC1CO1)CCCOCC1CO1
InChIInChI=1S/C16H32O5Si/c1-14(2)13-22(17,7-3-5-18-9-15-11-20-15)8-4-6-19-10-16-12-21-16/h14-17H,3-13H2,1-2H3
InChIKeyXPJXORGQTHALAA-UHFFFAOYSA-N
MW332.51 g/mol
LogP2.19
Rot. Bonds14

About hydroxy-(2-methylpropyl)-bis[3-(oxiran-2-ylmethoxy)propyl]silane

hydroxy-(2-methylpropyl)-bis[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 142708381) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is hydroxy-(2-methylpropyl)-bis[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Namehydroxy-(2-methylpropyl)-bis[3-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID142708381
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Namehydroxy-(2-methylpropyl)-bis[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCC(C)C[Si](O)(CCCOCC1CO1)CCCOCC1CO1
InChIInChI=1S/C16H32O5Si/c1-14(2)13-22(17,7-3-5-18-9-15-11-20-15)8-4-6-19-10-16-12-21-16/h14-17H,3-13H2,1-2H3
InChIKeyXPJXORGQTHALAA-UHFFFAOYSA-N
XLogP2.19
TPSA63.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.19
H-Bond Donors ≤ 51
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

hydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane
CID 142708425
methyl-[3-[[(2R)-oxiran-2-yl]methoxy]propyl]-di(propan-2-yloxy)silane
CID 150003668
butyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 142708399
dimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 169273482
3-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxypropoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 59202490
diethyl-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 139945217
tetrakis[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] silicate
CID 59734838
dimethyl-[3-[[(2R)-oxiran-2-yl]methoxy]propyl]-trimethylsilyloxysilane
CID 99864615
bis[[[[[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy]-dimethylsilane
CID 88854641
[acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate
CID 22292670
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685

Frequently Asked Questions

What is the IUPAC name of hydroxy-(2-methylpropyl)-bis[3-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of hydroxy-(2-methylpropyl)-bis[3-(oxiran-2-ylmethoxy)propyl]silane (CID 142708381) is hydroxy-(2-methylpropyl)-bis[3-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for hydroxy-(2-methylpropyl)-bis[3-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for hydroxy-(2-methylpropyl)-bis[3-(oxiran-2-ylmethoxy)propyl]silane is CC(C)C[Si](O)(CCCOCC1CO1)CCCOCC1CO1.
What is the InChIKey of hydroxy-(2-methylpropyl)-bis[3-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is XPJXORGQTHALAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-14(2)13-22(17,7-3-5-18-9-15-11-20-15)8-4-6-19-10-16-12-21-16/h14-17H,3-13H2,1-2H3.
What are the key properties of hydroxy-(2-methylpropyl)-bis[3-(oxiran-2-ylmethoxy)propyl]silane?
hydroxy-(2-methylpropyl)-bis[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 332.51 g/mol, XLogP of 2.19, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(2-methylpropyl)-bis[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 142708381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).