octoxy-pent-4-en-2-yloxy-diphenylsilane

C25H36O2Si — CID 91742014

IUPACoctoxy-pent-4-en-2-yloxy-diphenylsilane
SMILESC=CCC(C)O[Si](OCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36O2Si/c1-4-6-7-8-9-16-22-26-28(27-23(3)17-5-2,24-18-12-10-13-19-24)25-20-14-11-15-21-25/h5,10-15,18-21,23H,2,4,6-9,16-17,22H2,1,3H3
InChIKeyOQPWKXMPTTVSMT-UHFFFAOYSA-N
MW396.65 g/mol
LogP5.60
Rot. Bonds14

About octoxy-pent-4-en-2-yloxy-diphenylsilane

octoxy-pent-4-en-2-yloxy-diphenylsilane (PubChem CID 91742014) has the molecular formula C25H36O2Si and a molecular weight of 396.65 g/mol. Its IUPAC name is octoxy-pent-4-en-2-yloxy-diphenylsilane.

Molecular Properties

Compound Nameoctoxy-pent-4-en-2-yloxy-diphenylsilane
PubChem CID91742014
Molecular FormulaC25H36O2Si
Molecular Weight396.65 g/mol
Exact Mass396.25
IUPAC Nameoctoxy-pent-4-en-2-yloxy-diphenylsilane
SMILESC=CCC(C)O[Si](OCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36O2Si/c1-4-6-7-8-9-16-22-26-28(27-23(3)17-5-2,24-18-12-10-13-19-24)25-20-14-11-15-21-25/h5,10-15,18-21,23H,2,4,6-9,16-17,22H2,1,3H3
InChIKeyOQPWKXMPTTVSMT-UHFFFAOYSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.65
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pent-4-en-2-yloxy-diphenyl-propoxysilane
CID 91737874
hexan-2-yloxy-octoxy-diphenylsilane
CID 91742037
heptoxy-hexan-2-yloxy-diphenylsilane
CID 91741501
but-3-enoxy-heptoxy-diphenylsilane
CID 91741471
3-methylbutan-2-yloxy-diphenyl-tridecoxysilane
CID 91744362
dodecoxy-heptan-4-yloxy-diphenylsilane
CID 91744015
hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
CID 91733110
hexan-3-yloxy-diphenyl-undecoxysilane
CID 91743620
heptadecoxy-hexan-3-yloxy-diphenylsilane
CID 91745287
2-methylpentan-3-yloxy-pentoxy-diphenylsilane
CID 91740058
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane
CID 91732710

Frequently Asked Questions

What is the IUPAC name of octoxy-pent-4-en-2-yloxy-diphenylsilane?
The IUPAC name of octoxy-pent-4-en-2-yloxy-diphenylsilane (CID 91742014) is octoxy-pent-4-en-2-yloxy-diphenylsilane.
What is the SMILES notation for octoxy-pent-4-en-2-yloxy-diphenylsilane?
The canonical SMILES for octoxy-pent-4-en-2-yloxy-diphenylsilane is C=CCC(C)O[Si](OCCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of octoxy-pent-4-en-2-yloxy-diphenylsilane?
The InChIKey is OQPWKXMPTTVSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O2Si/c1-4-6-7-8-9-16-22-26-28(27-23(3)17-5-2,24-18-12-10-13-19-24)25-20-14-11-15-21-25/h5,10-15,18-21,23H,2,4,6-9,16-17,22H2,1,3H3.
What are the key properties of octoxy-pent-4-en-2-yloxy-diphenylsilane?
octoxy-pent-4-en-2-yloxy-diphenylsilane has a molecular weight of 396.65 g/mol, XLogP of 5.60, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octoxy-pent-4-en-2-yloxy-diphenylsilane is sourced from PubChem (CID 91742014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).