dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane

C28H54O4Si2 — CID 66773461

IUPACdibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane
SMILESCCCCO[Si](CCC)(OCCCC)c1ccc([Si](CCC)(OCCCC)OCCCC)cc1
InChIInChI=1S/C28H54O4Si2/c1-7-13-21-29-33(25-11-5,30-22-14-8-2)27-17-19-28(20-18-27)34(26-12-6,31-23-15-9-3)32-24-16-10-4/h17-20H,7-16,21-26H2,1-6H3
InChIKeyXOEXRTCWNVJGRX-UHFFFAOYSA-N
MW510.91 g/mol
LogP7.07
Rot. Bonds22

About dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane

dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane (PubChem CID 66773461) has the molecular formula C28H54O4Si2 and a molecular weight of 510.91 g/mol. Its IUPAC name is dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane.

Molecular Properties

Compound Namedibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane
PubChem CID66773461
Molecular FormulaC28H54O4Si2
Molecular Weight510.91 g/mol
Exact Mass510.36
IUPAC Namedibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane
SMILESCCCCO[Si](CCC)(OCCCC)c1ccc([Si](CCC)(OCCCC)OCCCC)cc1
InChIInChI=1S/C28H54O4Si2/c1-7-13-21-29-33(25-11-5,30-22-14-8-2)27-17-19-28(20-18-27)34(26-12-6,31-23-15-9-3)32-24-16-10-4/h17-20H,7-16,21-26H2,1-6H3
InChIKeyXOEXRTCWNVJGRX-UHFFFAOYSA-N
XLogP7.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.91
LogP ≤ 57.07
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'}

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Related Compounds

dibutoxy-butyl-(3-chlorophenyl)silane
CID 159988297
dibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane
CID 139765356
butoxy-[4-[butoxy(ditert-butyl)silyl]phenyl]-ditert-butylsilane
CID 66774397
3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012652
3-[dibutoxy(phenyl)silyl]propyl but-2-enoate
CID 67842940
tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane
CID 87873326
(4-bromophenyl)-butoxy-diethylsilane
CID 140744022
dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane
CID 87144867
tributoxy-(4-ethenylphenyl)silane
CID 141272321
butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane
CID 68750279
dibutoxy-ethyl-propylsilane
CID 22556349
butoxy-[3-[butoxy(dipropyl)silyl]propyl]-dipropylsilane
CID 87143618

Frequently Asked Questions

What is the IUPAC name of dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane?
The IUPAC name of dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane (CID 66773461) is dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane.
What is the SMILES notation for dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane?
The canonical SMILES for dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane is CCCCO[Si](CCC)(OCCCC)c1ccc([Si](CCC)(OCCCC)OCCCC)cc1.
What is the InChIKey of dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane?
The InChIKey is XOEXRTCWNVJGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O4Si2/c1-7-13-21-29-33(25-11-5,30-22-14-8-2)27-17-19-28(20-18-27)34(26-12-6,31-23-15-9-3)32-24-16-10-4/h17-20H,7-16,21-26H2,1-6H3.
What are the key properties of dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane?
dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane has a molecular weight of 510.91 g/mol, XLogP of 7.07, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane is sourced from PubChem (CID 66773461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).