dodecoxy-pent-4-enoxy-diphenylsilane

C29H44O2Si — CID 91735548

IUPACdodecoxy-pent-4-enoxy-diphenylsilane
SMILESC=CCCCO[Si](OCCCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H44O2Si/c1-3-5-7-8-9-10-11-12-13-21-27-31-32(30-26-20-6-4-2,28-22-16-14-17-23-28)29-24-18-15-19-25-29/h4,14-19,22-25H,2-3,5-13,20-21,26-27H2,1H3
InChIKeyFFVVRFRGJCLBSB-UHFFFAOYSA-N
MW452.76 g/mol
LogP7.16
Rot. Bonds19

About dodecoxy-pent-4-enoxy-diphenylsilane

dodecoxy-pent-4-enoxy-diphenylsilane (PubChem CID 91735548) has the molecular formula C29H44O2Si and a molecular weight of 452.76 g/mol. Its IUPAC name is dodecoxy-pent-4-enoxy-diphenylsilane.

Molecular Properties

Compound Namedodecoxy-pent-4-enoxy-diphenylsilane
PubChem CID91735548
Molecular FormulaC29H44O2Si
Molecular Weight452.76 g/mol
Exact Mass452.31
IUPAC Namedodecoxy-pent-4-enoxy-diphenylsilane
SMILESC=CCCCO[Si](OCCCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H44O2Si/c1-3-5-7-8-9-10-11-12-13-21-27-31-32(30-26-20-6-4-2,28-22-16-14-17-23-28)29-24-18-15-19-25-29/h4,14-19,22-25H,2-3,5-13,20-21,26-27H2,1H3
InChIKeyFFVVRFRGJCLBSB-UHFFFAOYSA-N
XLogP7.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.76
LogP ≤ 57.16
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 dodecoxy-pent-4-enoxy-diphenylsilane?
The IUPAC name of dodecoxy-pent-4-enoxy-diphenylsilane (CID 91735548) is dodecoxy-pent-4-enoxy-diphenylsilane.
What is the SMILES notation for dodecoxy-pent-4-enoxy-diphenylsilane?
The canonical SMILES for dodecoxy-pent-4-enoxy-diphenylsilane is C=CCCCO[Si](OCCCCCCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of dodecoxy-pent-4-enoxy-diphenylsilane?
The InChIKey is FFVVRFRGJCLBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44O2Si/c1-3-5-7-8-9-10-11-12-13-21-27-31-32(30-26-20-6-4-2,28-22-16-14-17-23-28)29-24-18-15-19-25-29/h4,14-19,22-25H,2-3,5-13,20-21,26-27H2,1H3.
What are the key properties of dodecoxy-pent-4-enoxy-diphenylsilane?
dodecoxy-pent-4-enoxy-diphenylsilane has a molecular weight of 452.76 g/mol, XLogP of 7.16, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxy-pent-4-enoxy-diphenylsilane is sourced from PubChem (CID 91735548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).