diphenoxymethyl-[4-(diphenoxymethylsilyl)butyl]silane

C30H34O4Si2 — CID 123541157

IUPACdiphenoxymethyl-[4-(diphenoxymethylsilyl)butyl]silane
SMILESc1ccc(OC(Oc2ccccc2)[SiH2]CCCC[SiH2]C(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C30H34O4Si2/c1-5-15-25(16-6-1)31-29(32-26-17-7-2-8-18-26)35-23-13-14-24-36-30(33-27-19-9-3-10-20-27)34-28-21-11-4-12-22-28/h1-12,15-22,29-30H,13-14,23-24,35-36H2
InChIKeyPFSIIWAQMGQIRH-UHFFFAOYSA-N
MW514.77 g/mol
LogP5.82
Rot. Bonds15

About diphenoxymethyl-[4-(diphenoxymethylsilyl)butyl]silane

diphenoxymethyl-[4-(diphenoxymethylsilyl)butyl]silane (PubChem CID 123541157) has the molecular formula C30H34O4Si2 and a molecular weight of 514.77 g/mol. Its IUPAC name is diphenoxymethyl-[4-(diphenoxymethylsilyl)butyl]silane.

Molecular Properties

Compound Namediphenoxymethyl-[4-(diphenoxymethylsilyl)butyl]silane
PubChem CID123541157
Molecular FormulaC30H34O4Si2
Molecular Weight514.77 g/mol
Exact Mass514.20
IUPAC Namediphenoxymethyl-[4-(diphenoxymethylsilyl)butyl]silane
SMILESc1ccc(OC(Oc2ccccc2)[SiH2]CCCC[SiH2]C(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C30H34O4Si2/c1-5-15-25(16-6-1)31-29(32-26-17-7-2-8-18-26)35-23-13-14-24-36-30(33-27-19-9-3-10-20-27)34-28-21-11-4-12-22-28/h1-12,15-22,29-30H,13-14,23-24,35-36H2
InChIKeyPFSIIWAQMGQIRH-UHFFFAOYSA-N
XLogP5.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.77
LogP ≤ 55.82
H-Bond Donors ≤ 50
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-bromopropyl(diphenoxymethyl)silane
CID 154165223
[1-phenoxy-3-(3-phenoxy-3-phenylpropoxy)propyl]benzene
CID 70632407
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CID 174620608
2-phenoxy-2-phenylethanamine chloride
CID 21228850
1,3-diphenylpropan-2-yloxybenzene
CID 54221058
(3S)-3-phenoxy-3-phenylpropan-1-amine
CID 11736303
3-methylhexan-2-yloxybenzene
CID 150585965
undecan-6-yloxybenzene
CID 130316504
(3-bromo-1-phenoxypropyl)benzene
CID 140974911
1,3-diethoxypropane;1-phenoxybutoxybenzene
CID 175552729
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
1-methoxyethoxybenzene
CID 18188895

Frequently Asked Questions

What is the IUPAC name of diphenoxymethyl-[4-(diphenoxymethylsilyl)butyl]silane?
The IUPAC name of diphenoxymethyl-[4-(diphenoxymethylsilyl)butyl]silane (CID 123541157) is diphenoxymethyl-[4-(diphenoxymethylsilyl)butyl]silane.
What is the SMILES notation for diphenoxymethyl-[4-(diphenoxymethylsilyl)butyl]silane?
The canonical SMILES for diphenoxymethyl-[4-(diphenoxymethylsilyl)butyl]silane is c1ccc(OC(Oc2ccccc2)[SiH2]CCCC[SiH2]C(Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of diphenoxymethyl-[4-(diphenoxymethylsilyl)butyl]silane?
The InChIKey is PFSIIWAQMGQIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O4Si2/c1-5-15-25(16-6-1)31-29(32-26-17-7-2-8-18-26)35-23-13-14-24-36-30(33-27-19-9-3-10-20-27)34-28-21-11-4-12-22-28/h1-12,15-22,29-30H,13-14,23-24,35-36H2.
What are the key properties of diphenoxymethyl-[4-(diphenoxymethylsilyl)butyl]silane?
diphenoxymethyl-[4-(diphenoxymethylsilyl)butyl]silane has a molecular weight of 514.77 g/mol, XLogP of 5.82, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenoxymethyl-[4-(diphenoxymethylsilyl)butyl]silane is sourced from PubChem (CID 123541157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).