tributoxy-(2-propylcyclopenta-2,4-dien-1-yl)silane

C20H38O3Si — CID 70424528

IUPACtributoxy-(2-propylcyclopenta-2,4-dien-1-yl)silane
SMILESCCCCO[Si](OCCCC)(OCCCC)C1C=CC=C1CCC
InChIInChI=1S/C20H38O3Si/c1-5-9-16-21-24(22-17-10-6-2,23-18-11-7-3)20-15-12-14-19(20)13-8-4/h12,14-15,20H,5-11,13,16-18H2,1-4H3
InChIKeyZHNWNHUFCIOGCN-UHFFFAOYSA-N
MW354.61 g/mol
LogP6.04
Rot. Bonds15

About tributoxy-(2-propylcyclopenta-2,4-dien-1-yl)silane

tributoxy-(2-propylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 70424528) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is tributoxy-(2-propylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Nametributoxy-(2-propylcyclopenta-2,4-dien-1-yl)silane
PubChem CID70424528
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Nametributoxy-(2-propylcyclopenta-2,4-dien-1-yl)silane
SMILESCCCCO[Si](OCCCC)(OCCCC)C1C=CC=C1CCC
InChIInChI=1S/C20H38O3Si/c1-5-9-16-21-24(22-17-10-6-2,23-18-11-7-3)20-15-12-14-19(20)13-8-4/h12,14-15,20H,5-11,13,16-18H2,1-4H3
InChIKeyZHNWNHUFCIOGCN-UHFFFAOYSA-N
XLogP6.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributoxy-(2-propylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of tributoxy-(2-propylcyclopenta-2,4-dien-1-yl)silane (CID 70424528) is tributoxy-(2-propylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for tributoxy-(2-propylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for tributoxy-(2-propylcyclopenta-2,4-dien-1-yl)silane is CCCCO[Si](OCCCC)(OCCCC)C1C=CC=C1CCC.
What is the InChIKey of tributoxy-(2-propylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is ZHNWNHUFCIOGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-5-9-16-21-24(22-17-10-6-2,23-18-11-7-3)20-15-12-14-19(20)13-8-4/h12,14-15,20H,5-11,13,16-18H2,1-4H3.
What are the key properties of tributoxy-(2-propylcyclopenta-2,4-dien-1-yl)silane?
tributoxy-(2-propylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 354.61 g/mol, XLogP of 6.04, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributoxy-(2-propylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 70424528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).