heptoxy-pent-4-en-2-yloxy-diphenylsilane

C24H34O2Si — CID 91741474

IUPACheptoxy-pent-4-en-2-yloxy-diphenylsilane
SMILESC=CCC(C)O[Si](OCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34O2Si/c1-4-6-7-8-15-21-25-27(26-22(3)16-5-2,23-17-11-9-12-18-23)24-19-13-10-14-20-24/h5,9-14,17-20,22H,2,4,6-8,15-16,21H2,1,3H3
InChIKeyXIHAATZCDAVMIF-UHFFFAOYSA-N
MW382.62 g/mol
LogP5.21
Rot. Bonds13

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

heptoxy-pent-4-en-2-yloxy-diphenylsilane (PubChem CID 91741474) has the molecular formula C24H34O2Si and a molecular weight of 382.62 g/mol. Its IUPAC name is heptoxy-pent-4-en-2-yloxy-diphenylsilane.

Molecular Properties

Compound Nameheptoxy-pent-4-en-2-yloxy-diphenylsilane
PubChem CID91741474
Molecular FormulaC24H34O2Si
Molecular Weight382.62 g/mol
Exact Mass382.23
IUPAC Nameheptoxy-pent-4-en-2-yloxy-diphenylsilane
SMILESC=CCC(C)O[Si](OCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34O2Si/c1-4-6-7-8-15-21-25-27(26-22(3)16-5-2,23-17-11-9-12-18-23)24-19-13-10-14-20-24/h5,9-14,17-20,22H,2,4,6-8,15-16,21H2,1,3H3
InChIKeyXIHAATZCDAVMIF-UHFFFAOYSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.62
LogP ≤ 55.21
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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Frequently Asked Questions

What is the IUPAC name of heptoxy-pent-4-en-2-yloxy-diphenylsilane?
The IUPAC name of heptoxy-pent-4-en-2-yloxy-diphenylsilane (CID 91741474) is heptoxy-pent-4-en-2-yloxy-diphenylsilane.
What is the SMILES notation for heptoxy-pent-4-en-2-yloxy-diphenylsilane?
The canonical SMILES for heptoxy-pent-4-en-2-yloxy-diphenylsilane is C=CCC(C)O[Si](OCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of heptoxy-pent-4-en-2-yloxy-diphenylsilane?
The InChIKey is XIHAATZCDAVMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2Si/c1-4-6-7-8-15-21-25-27(26-22(3)16-5-2,23-17-11-9-12-18-23)24-19-13-10-14-20-24/h5,9-14,17-20,22H,2,4,6-8,15-16,21H2,1,3H3.
What are the key properties of heptoxy-pent-4-en-2-yloxy-diphenylsilane?
heptoxy-pent-4-en-2-yloxy-diphenylsilane has a molecular weight of 382.62 g/mol, XLogP of 5.21, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxy-pent-4-en-2-yloxy-diphenylsilane is sourced from PubChem (CID 91741474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).