2-tributylsilylcyclopentane-1-carbaldehyde

C18H36OSi — CID 140735224

IUPAC2-tributylsilylcyclopentane-1-carbaldehyde
SMILESCCCC[Si](CCCC)(CCCC)C1CCCC1C=O
InChIInChI=1S/C18H36OSi/c1-4-7-13-20(14-8-5-2,15-9-6-3)18-12-10-11-17(18)16-19/h16-18H,4-15H2,1-3H3
InChIKeyQYGXHSCHQHYRSG-UHFFFAOYSA-N
MW296.57 g/mol
LogP6.20
Rot. Bonds11

About 2-tributylsilylcyclopentane-1-carbaldehyde

2-tributylsilylcyclopentane-1-carbaldehyde (PubChem CID 140735224) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is 2-tributylsilylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name2-tributylsilylcyclopentane-1-carbaldehyde
PubChem CID140735224
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Name2-tributylsilylcyclopentane-1-carbaldehyde
SMILESCCCC[Si](CCCC)(CCCC)C1CCCC1C=O
InChIInChI=1S/C18H36OSi/c1-4-7-13-20(14-8-5-2,15-9-6-3)18-12-10-11-17(18)16-19/h16-18H,4-15H2,1-3H3
InChIKeyQYGXHSCHQHYRSG-UHFFFAOYSA-N
XLogP6.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tributylsilylcyclopentane-1-carbaldehyde?
The IUPAC name of 2-tributylsilylcyclopentane-1-carbaldehyde (CID 140735224) is 2-tributylsilylcyclopentane-1-carbaldehyde.
What is the SMILES notation for 2-tributylsilylcyclopentane-1-carbaldehyde?
The canonical SMILES for 2-tributylsilylcyclopentane-1-carbaldehyde is CCCC[Si](CCCC)(CCCC)C1CCCC1C=O.
What is the InChIKey of 2-tributylsilylcyclopentane-1-carbaldehyde?
The InChIKey is QYGXHSCHQHYRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36OSi/c1-4-7-13-20(14-8-5-2,15-9-6-3)18-12-10-11-17(18)16-19/h16-18H,4-15H2,1-3H3.
What are the key properties of 2-tributylsilylcyclopentane-1-carbaldehyde?
2-tributylsilylcyclopentane-1-carbaldehyde has a molecular weight of 296.57 g/mol, XLogP of 6.20, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tributylsilylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 140735224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).