2-(1-methyl-1-propylsilinan-4-yl)acetaldehyde

C11H22OSi — CID 19690487

IUPAC2-(1-methyl-1-propylsilinan-4-yl)acetaldehyde
SMILESCCC[Si]1(C)CCC(CC=O)CC1
InChIInChI=1S/C11H22OSi/c1-3-8-13(2)9-5-11(4-7-12)6-10-13/h7,11H,3-6,8-10H2,1-2H3
InChIKeyUOAIILLQWRZJNJ-UHFFFAOYSA-N
MW198.38 g/mol
LogP3.47
Rot. Bonds4

About 2-(1-methyl-1-propylsilinan-4-yl)acetaldehyde

2-(1-methyl-1-propylsilinan-4-yl)acetaldehyde (PubChem CID 19690487) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 2-(1-methyl-1-propylsilinan-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-methyl-1-propylsilinan-4-yl)acetaldehyde
PubChem CID19690487
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name2-(1-methyl-1-propylsilinan-4-yl)acetaldehyde
SMILESCCC[Si]1(C)CCC(CC=O)CC1
InChIInChI=1S/C11H22OSi/c1-3-8-13(2)9-5-11(4-7-12)6-10-13/h7,11H,3-6,8-10H2,1-2H3
InChIKeyUOAIILLQWRZJNJ-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.47
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-(1-methyl-1-propylsilinan-4-yl)acetaldehyde?
The IUPAC name of 2-(1-methyl-1-propylsilinan-4-yl)acetaldehyde (CID 19690487) is 2-(1-methyl-1-propylsilinan-4-yl)acetaldehyde.
What is the SMILES notation for 2-(1-methyl-1-propylsilinan-4-yl)acetaldehyde?
The canonical SMILES for 2-(1-methyl-1-propylsilinan-4-yl)acetaldehyde is CCC[Si]1(C)CCC(CC=O)CC1.
What is the InChIKey of 2-(1-methyl-1-propylsilinan-4-yl)acetaldehyde?
The InChIKey is UOAIILLQWRZJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-3-8-13(2)9-5-11(4-7-12)6-10-13/h7,11H,3-6,8-10H2,1-2H3.
What are the key properties of 2-(1-methyl-1-propylsilinan-4-yl)acetaldehyde?
2-(1-methyl-1-propylsilinan-4-yl)acetaldehyde has a molecular weight of 198.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-1-propylsilinan-4-yl)acetaldehyde is sourced from PubChem (CID 19690487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).