pentan-3-yl(diphenoxy)silane

C17H22O2Si — CID 175049693

IUPACpentan-3-yl(diphenoxy)silane
SMILESCCC(CC)[SiH](Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C17H22O2Si/c1-3-17(4-2)20(18-15-11-7-5-8-12-15)19-16-13-9-6-10-14-16/h5-14,17,20H,3-4H2,1-2H3
InChIKeyYHEMIXOOMVRKRA-UHFFFAOYSA-N
MW286.45 g/mol
LogP4.56
Rot. Bonds7

About pentan-3-yl(diphenoxy)silane

pentan-3-yl(diphenoxy)silane (PubChem CID 175049693) has the molecular formula C17H22O2Si and a molecular weight of 286.45 g/mol. Its IUPAC name is pentan-3-yl(diphenoxy)silane.

Molecular Properties

Compound Namepentan-3-yl(diphenoxy)silane
PubChem CID175049693
Molecular FormulaC17H22O2Si
Molecular Weight286.45 g/mol
Exact Mass286.14
IUPAC Namepentan-3-yl(diphenoxy)silane
SMILESCCC(CC)[SiH](Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C17H22O2Si/c1-3-17(4-2)20(18-15-11-7-5-8-12-15)19-16-13-9-6-10-14-16/h5-14,17,20H,3-4H2,1-2H3
InChIKeyYHEMIXOOMVRKRA-UHFFFAOYSA-N
XLogP4.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.45
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze pentan-3-yl(diphenoxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl(phenoxy)silane
CID 123173184
ethoxy(diphenoxy)silane
CID 123575589
bicyclo[2.2.2]octa-1,3,5,7-tetraene;ethyl(diphenoxy)silane
CID 173061704
1-ethenoxypropoxybenzene
CID 20548165
diphenoxysilylmethyl(trimethyl)silane
CID 59357449
ethane;phenoxybenzene;propane
CID 90923491
trimethyl-[[methyl(phenoxy)silyl]methyl]silane
CID 59357484
1-phenoxybutane-1,2-diol
CID 19866542
[1-methoxypropyl(phenoxy)phosphoryl]oxybenzene
CID 89300438
butyl-(1-methoxyethoxy)-phenoxysilane
CID 175174287
anisole;argon;propane
CID 165043377
ethoxybenzene chloride
CID 21193593

Frequently Asked Questions

What is the IUPAC name of pentan-3-yl(diphenoxy)silane?
The IUPAC name of pentan-3-yl(diphenoxy)silane (CID 175049693) is pentan-3-yl(diphenoxy)silane.
What is the SMILES notation for pentan-3-yl(diphenoxy)silane?
The canonical SMILES for pentan-3-yl(diphenoxy)silane is CCC(CC)[SiH](Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of pentan-3-yl(diphenoxy)silane?
The InChIKey is YHEMIXOOMVRKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2Si/c1-3-17(4-2)20(18-15-11-7-5-8-12-15)19-16-13-9-6-10-14-16/h5-14,17,20H,3-4H2,1-2H3.
What are the key properties of pentan-3-yl(diphenoxy)silane?
pentan-3-yl(diphenoxy)silane has a molecular weight of 286.45 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-yl(diphenoxy)silane is sourced from PubChem (CID 175049693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).