hydroxy-[4-[hydroxy-methyl-[4-(oxiran-2-yl)butyl]silyl]phenyl]-methyl-[4-(oxiran-2-yl)butyl]silane

C20H34O4Si2 — CID 102273236

IUPAChydroxy-[4-[hydroxy-methyl-[4-(oxiran-2-yl)butyl]silyl]phenyl]-methyl-[4-(oxiran-2-yl)butyl]silane
SMILESC[Si](O)(CCCCC1CO1)c1ccc([Si](C)(O)CCCCC2CO2)cc1
InChIInChI=1S/C20H34O4Si2/c1-25(21,13-5-3-7-17-15-23-17)19-9-11-20(12-10-19)26(2,22)14-6-4-8-18-16-24-18/h9-12,17-18,21-22H,3-8,13-16H2,1-2H3
InChIKeyHTFAEHUKVHQUGF-UHFFFAOYSA-N
MW394.66 g/mol
LogP2.37
Rot. Bonds12

About hydroxy-[4-[hydroxy-methyl-[4-(oxiran-2-yl)butyl]silyl]phenyl]-methyl-[4-(oxiran-2-yl)butyl]silane

hydroxy-[4-[hydroxy-methyl-[4-(oxiran-2-yl)butyl]silyl]phenyl]-methyl-[4-(oxiran-2-yl)butyl]silane (PubChem CID 102273236) has the molecular formula C20H34O4Si2 and a molecular weight of 394.66 g/mol. Its IUPAC name is hydroxy-[4-[hydroxy-methyl-[4-(oxiran-2-yl)butyl]silyl]phenyl]-methyl-[4-(oxiran-2-yl)butyl]silane.

Molecular Properties

Compound Namehydroxy-[4-[hydroxy-methyl-[4-(oxiran-2-yl)butyl]silyl]phenyl]-methyl-[4-(oxiran-2-yl)butyl]silane
PubChem CID102273236
Molecular FormulaC20H34O4Si2
Molecular Weight394.66 g/mol
Exact Mass394.20
IUPAC Namehydroxy-[4-[hydroxy-methyl-[4-(oxiran-2-yl)butyl]silyl]phenyl]-methyl-[4-(oxiran-2-yl)butyl]silane
SMILESC[Si](O)(CCCCC1CO1)c1ccc([Si](C)(O)CCCCC2CO2)cc1
InChIInChI=1S/C20H34O4Si2/c1-25(21,13-5-3-7-17-15-23-17)19-9-11-20(12-10-19)26(2,22)14-6-4-8-18-16-24-18/h9-12,17-18,21-22H,3-8,13-16H2,1-2H3
InChIKeyHTFAEHUKVHQUGF-UHFFFAOYSA-N
XLogP2.37
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.66
LogP ≤ 52.37
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[4-[hydroxy-methyl-[4-(oxiran-2-yl)butyl]silyl]phenyl]-methyl-[4-(oxiran-2-yl)butyl]silane?
The IUPAC name of hydroxy-[4-[hydroxy-methyl-[4-(oxiran-2-yl)butyl]silyl]phenyl]-methyl-[4-(oxiran-2-yl)butyl]silane (CID 102273236) is hydroxy-[4-[hydroxy-methyl-[4-(oxiran-2-yl)butyl]silyl]phenyl]-methyl-[4-(oxiran-2-yl)butyl]silane.
What is the SMILES notation for hydroxy-[4-[hydroxy-methyl-[4-(oxiran-2-yl)butyl]silyl]phenyl]-methyl-[4-(oxiran-2-yl)butyl]silane?
The canonical SMILES for hydroxy-[4-[hydroxy-methyl-[4-(oxiran-2-yl)butyl]silyl]phenyl]-methyl-[4-(oxiran-2-yl)butyl]silane is C[Si](O)(CCCCC1CO1)c1ccc([Si](C)(O)CCCCC2CO2)cc1.
What is the InChIKey of hydroxy-[4-[hydroxy-methyl-[4-(oxiran-2-yl)butyl]silyl]phenyl]-methyl-[4-(oxiran-2-yl)butyl]silane?
The InChIKey is HTFAEHUKVHQUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4Si2/c1-25(21,13-5-3-7-17-15-23-17)19-9-11-20(12-10-19)26(2,22)14-6-4-8-18-16-24-18/h9-12,17-18,21-22H,3-8,13-16H2,1-2H3.
What are the key properties of hydroxy-[4-[hydroxy-methyl-[4-(oxiran-2-yl)butyl]silyl]phenyl]-methyl-[4-(oxiran-2-yl)butyl]silane?
hydroxy-[4-[hydroxy-methyl-[4-(oxiran-2-yl)butyl]silyl]phenyl]-methyl-[4-(oxiran-2-yl)butyl]silane has a molecular weight of 394.66 g/mol, XLogP of 2.37, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[4-[hydroxy-methyl-[4-(oxiran-2-yl)butyl]silyl]phenyl]-methyl-[4-(oxiran-2-yl)butyl]silane is sourced from PubChem (CID 102273236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).