ethyl-[3-[1-(3-ethylsilylpropyl)-2,3,4,5-tetraphenylsilol-1-yl]propyl]silane

C38H46Si3 — CID 158565683

IUPACethyl-[3-[1-(3-ethylsilylpropyl)-2,3,4,5-tetraphenylsilol-1-yl]propyl]silane
SMILESCC[SiH2]CCC[Si]1(CCC[SiH2]CC)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C38H46Si3/c1-3-39-27-17-29-41(30-18-28-40-4-2)37(33-23-13-7-14-24-33)35(31-19-9-5-10-20-31)36(32-21-11-6-12-22-32)38(41)34-25-15-8-16-26-34/h5-16,19-26H,3-4,17-18,27-30,39-40H2,1-2H3
InChIKeyDMBVLZLWVSIASX-UHFFFAOYSA-N
MW587.04 g/mol
LogP9.58
Rot. Bonds14

About ethyl-[3-[1-(3-ethylsilylpropyl)-2,3,4,5-tetraphenylsilol-1-yl]propyl]silane

ethyl-[3-[1-(3-ethylsilylpropyl)-2,3,4,5-tetraphenylsilol-1-yl]propyl]silane (PubChem CID 158565683) has the molecular formula C38H46Si3 and a molecular weight of 587.04 g/mol. Its IUPAC name is ethyl-[3-[1-(3-ethylsilylpropyl)-2,3,4,5-tetraphenylsilol-1-yl]propyl]silane.

Molecular Properties

Compound Nameethyl-[3-[1-(3-ethylsilylpropyl)-2,3,4,5-tetraphenylsilol-1-yl]propyl]silane
PubChem CID158565683
Molecular FormulaC38H46Si3
Molecular Weight587.04 g/mol
Exact Mass586.29
IUPAC Nameethyl-[3-[1-(3-ethylsilylpropyl)-2,3,4,5-tetraphenylsilol-1-yl]propyl]silane
SMILESCC[SiH2]CCC[Si]1(CCC[SiH2]CC)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C38H46Si3/c1-3-39-27-17-29-41(30-18-28-40-4-2)37(33-23-13-7-14-24-33)35(31-19-9-5-10-20-31)36(32-21-11-6-12-22-32)38(41)34-25-15-8-16-26-34/h5-16,19-26H,3-4,17-18,27-30,39-40H2,1-2H3
InChIKeyDMBVLZLWVSIASX-UHFFFAOYSA-N
XLogP9.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.04
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-[3-[1-(3-ethylsilylpropyl)-2,3,4,5-tetraphenylsilol-1-yl]propyl]silane?
The IUPAC name of ethyl-[3-[1-(3-ethylsilylpropyl)-2,3,4,5-tetraphenylsilol-1-yl]propyl]silane (CID 158565683) is ethyl-[3-[1-(3-ethylsilylpropyl)-2,3,4,5-tetraphenylsilol-1-yl]propyl]silane.
What is the SMILES notation for ethyl-[3-[1-(3-ethylsilylpropyl)-2,3,4,5-tetraphenylsilol-1-yl]propyl]silane?
The canonical SMILES for ethyl-[3-[1-(3-ethylsilylpropyl)-2,3,4,5-tetraphenylsilol-1-yl]propyl]silane is CC[SiH2]CCC[Si]1(CCC[SiH2]CC)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of ethyl-[3-[1-(3-ethylsilylpropyl)-2,3,4,5-tetraphenylsilol-1-yl]propyl]silane?
The InChIKey is DMBVLZLWVSIASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46Si3/c1-3-39-27-17-29-41(30-18-28-40-4-2)37(33-23-13-7-14-24-33)35(31-19-9-5-10-20-31)36(32-21-11-6-12-22-32)38(41)34-25-15-8-16-26-34/h5-16,19-26H,3-4,17-18,27-30,39-40H2,1-2H3.
What are the key properties of ethyl-[3-[1-(3-ethylsilylpropyl)-2,3,4,5-tetraphenylsilol-1-yl]propyl]silane?
ethyl-[3-[1-(3-ethylsilylpropyl)-2,3,4,5-tetraphenylsilol-1-yl]propyl]silane has a molecular weight of 587.04 g/mol, XLogP of 9.58, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[3-[1-(3-ethylsilylpropyl)-2,3,4,5-tetraphenylsilol-1-yl]propyl]silane is sourced from PubChem (CID 158565683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).