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

C14H28OSi — CID 154079941

IUPAC2-(1-heptylsilinan-4-yl)acetaldehyde
SMILESCCCCCCC[SiH]1CCC(CC=O)CC1
InChIInChI=1S/C14H28OSi/c1-2-3-4-5-6-11-16-12-8-14(7-10-15)9-13-16/h10,14,16H,2-9,11-13H2,1H3
InChIKeyAPEXWCHLORBMSS-UHFFFAOYSA-N
MW240.46 g/mol
LogP4.18
Rot. Bonds8

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

2-(1-heptylsilinan-4-yl)acetaldehyde (PubChem CID 154079941) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is 2-(1-heptylsilinan-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-heptylsilinan-4-yl)acetaldehyde
PubChem CID154079941
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name2-(1-heptylsilinan-4-yl)acetaldehyde
SMILESCCCCCCC[SiH]1CCC(CC=O)CC1
InChIInChI=1S/C14H28OSi/c1-2-3-4-5-6-11-16-12-8-14(7-10-15)9-13-16/h10,14,16H,2-9,11-13H2,1H3
InChIKeyAPEXWCHLORBMSS-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.18
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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Related Compounds

4-(bromomethyl)-1-heptylsilinane
CID 54143052
2-(1-pentylpiperidin-4-yl)acetaldehyde
CID 88843221
4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane
CID 54462042
2-(oxan-4-yl)acetaldehyde;propane
CID 145213291
2,2,3-trideuteriohexadecanal
CID 123908438
N,N-dimethylformamide;dodecane
CID 174900991
dimethyl(oxo)phosphanium;hexylcyclobutane
CID 173138999
2-[(1R,2R,3S,4S)-3-heptoxy-2-bicyclo[2.2.1]heptanyl]acetaldehyde
CID 88658175
undecane;dihydrobromide
CID 172838591
CID 18986095
CID 18986095
decanal;decane
CID 157361056
1-bromo-4-butyl-1,4-disilinane
CID 172831370

Frequently Asked Questions

What is the IUPAC name of 2-(1-heptylsilinan-4-yl)acetaldehyde?
The IUPAC name of 2-(1-heptylsilinan-4-yl)acetaldehyde (CID 154079941) is 2-(1-heptylsilinan-4-yl)acetaldehyde.
What is the SMILES notation for 2-(1-heptylsilinan-4-yl)acetaldehyde?
The canonical SMILES for 2-(1-heptylsilinan-4-yl)acetaldehyde is CCCCCCC[SiH]1CCC(CC=O)CC1.
What is the InChIKey of 2-(1-heptylsilinan-4-yl)acetaldehyde?
The InChIKey is APEXWCHLORBMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-2-3-4-5-6-11-16-12-8-14(7-10-15)9-13-16/h10,14,16H,2-9,11-13H2,1H3.
What are the key properties of 2-(1-heptylsilinan-4-yl)acetaldehyde?
2-(1-heptylsilinan-4-yl)acetaldehyde has a molecular weight of 240.46 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-heptylsilinan-4-yl)acetaldehyde is sourced from PubChem (CID 154079941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).