2-(1-pentylsilinan-4-yl)acetaldehyde

C12H24OSi — CID 123802534

IUPAC2-(1-pentylsilinan-4-yl)acetaldehyde
SMILESCCCCC[SiH]1CCC(CC=O)CC1
InChIInChI=1S/C12H24OSi/c1-2-3-4-9-14-10-6-12(5-8-13)7-11-14/h8,12,14H,2-7,9-11H2,1H3
InChIKeyQILZAPZQTBPKNZ-UHFFFAOYSA-N
MW212.41 g/mol
LogP3.40
Rot. Bonds6

About 2-(1-pentylsilinan-4-yl)acetaldehyde

2-(1-pentylsilinan-4-yl)acetaldehyde (PubChem CID 123802534) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 2-(1-pentylsilinan-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-pentylsilinan-4-yl)acetaldehyde
PubChem CID123802534
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name2-(1-pentylsilinan-4-yl)acetaldehyde
SMILESCCCCC[SiH]1CCC(CC=O)CC1
InChIInChI=1S/C12H24OSi/c1-2-3-4-9-14-10-6-12(5-8-13)7-11-14/h8,12,14H,2-7,9-11H2,1H3
InChIKeyQILZAPZQTBPKNZ-UHFFFAOYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 2-(1-pentylsilinan-4-yl)acetaldehyde?
The IUPAC name of 2-(1-pentylsilinan-4-yl)acetaldehyde (CID 123802534) is 2-(1-pentylsilinan-4-yl)acetaldehyde.
What is the SMILES notation for 2-(1-pentylsilinan-4-yl)acetaldehyde?
The canonical SMILES for 2-(1-pentylsilinan-4-yl)acetaldehyde is CCCCC[SiH]1CCC(CC=O)CC1.
What is the InChIKey of 2-(1-pentylsilinan-4-yl)acetaldehyde?
The InChIKey is QILZAPZQTBPKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-2-3-4-9-14-10-6-12(5-8-13)7-11-14/h8,12,14H,2-7,9-11H2,1H3.
What are the key properties of 2-(1-pentylsilinan-4-yl)acetaldehyde?
2-(1-pentylsilinan-4-yl)acetaldehyde has a molecular weight of 212.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pentylsilinan-4-yl)acetaldehyde is sourced from PubChem (CID 123802534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).