2-[1-(5-methoxypentyl)silinan-4-yl]acetaldehyde

C13H26O2Si — CID 154079938

IUPAC2-[1-(5-methoxypentyl)silinan-4-yl]acetaldehyde
SMILESCOCCCCC[SiH]1CCC(CC=O)CC1
InChIInChI=1S/C13H26O2Si/c1-15-9-3-2-4-10-16-11-6-13(5-8-14)7-12-16/h8,13,16H,2-7,9-12H2,1H3
InChIKeyVZMZXNXQRVBNHN-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.03
Rot. Bonds8

About 2-[1-(5-methoxypentyl)silinan-4-yl]acetaldehyde

2-[1-(5-methoxypentyl)silinan-4-yl]acetaldehyde (PubChem CID 154079938) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-[1-(5-methoxypentyl)silinan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(5-methoxypentyl)silinan-4-yl]acetaldehyde
PubChem CID154079938
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name2-[1-(5-methoxypentyl)silinan-4-yl]acetaldehyde
SMILESCOCCCCC[SiH]1CCC(CC=O)CC1
InChIInChI=1S/C13H26O2Si/c1-15-9-3-2-4-10-16-11-6-13(5-8-14)7-12-16/h8,13,16H,2-7,9-12H2,1H3
InChIKeyVZMZXNXQRVBNHN-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(5-methoxypentyl)silinan-4-yl]acetaldehyde?
The IUPAC name of 2-[1-(5-methoxypentyl)silinan-4-yl]acetaldehyde (CID 154079938) is 2-[1-(5-methoxypentyl)silinan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[1-(5-methoxypentyl)silinan-4-yl]acetaldehyde?
The canonical SMILES for 2-[1-(5-methoxypentyl)silinan-4-yl]acetaldehyde is COCCCCC[SiH]1CCC(CC=O)CC1.
What is the InChIKey of 2-[1-(5-methoxypentyl)silinan-4-yl]acetaldehyde?
The InChIKey is VZMZXNXQRVBNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-15-9-3-2-4-10-16-11-6-13(5-8-14)7-12-16/h8,13,16H,2-7,9-12H2,1H3.
What are the key properties of 2-[1-(5-methoxypentyl)silinan-4-yl]acetaldehyde?
2-[1-(5-methoxypentyl)silinan-4-yl]acetaldehyde has a molecular weight of 242.43 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methoxypentyl)silinan-4-yl]acetaldehyde is sourced from PubChem (CID 154079938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).