2-(5-decyl-2-oxooxolan-3-yl)acetaldehyde

C16H28O3 — CID 162820242

IUPAC2-(5-decyl-2-oxooxolan-3-yl)acetaldehyde
SMILESCCCCCCCCCCC1CC(CC=O)C(=O)O1
InChIInChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-15-13-14(11-12-17)16(18)19-15/h12,14-15H,2-11,13H2,1H3
InChIKeyHFRTUPRNAAOTDU-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.04
Rot. Bonds11

About 2-(5-decyl-2-oxooxolan-3-yl)acetaldehyde

2-(5-decyl-2-oxooxolan-3-yl)acetaldehyde (PubChem CID 162820242) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(5-decyl-2-oxooxolan-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-decyl-2-oxooxolan-3-yl)acetaldehyde
PubChem CID162820242
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name2-(5-decyl-2-oxooxolan-3-yl)acetaldehyde
SMILESCCCCCCCCCCC1CC(CC=O)C(=O)O1
InChIInChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-15-13-14(11-12-17)16(18)19-15/h12,14-15H,2-11,13H2,1H3
InChIKeyHFRTUPRNAAOTDU-UHFFFAOYSA-N
XLogP4.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Butyl-4-methyldihydro-2(3H)-furanone
CID 62900
alpha-Hexyl-gamma-butyrolactone
CID 86736
2(3H)-Furanone, dihydro-4-methyl-5-pentyl-
CID 97707
3-Methyl-gamma-decalactone
CID 106756
3-Heptyldihydro-5-methyl-2(3H)-furanone
CID 61990
2(3H)-Furanone, 5-butyldihydro-4-methyl-, cis-
CID 41285
Dodecylsuccinic anhydride
CID 98107
2(3H)-Furanone, 3-heptyldihydro-
CID 102914
5-Butyl-4-methyldihydro-2(3H)-furanone, trans-
CID 11084123
3-Dodecyldihydro-2(3H)-furanone, (+-)-
CID 166406
2(3H)-Furanone, dihydro-3-pentyl-
CID 559675
5-Butyl-4-methyldihydro-2(3H)-furanone, trans-(-)-
CID 11105597

Frequently Asked Questions

What is the IUPAC name of 2-(5-decyl-2-oxooxolan-3-yl)acetaldehyde?
The IUPAC name of 2-(5-decyl-2-oxooxolan-3-yl)acetaldehyde (CID 162820242) is 2-(5-decyl-2-oxooxolan-3-yl)acetaldehyde.
What is the SMILES notation for 2-(5-decyl-2-oxooxolan-3-yl)acetaldehyde?
The canonical SMILES for 2-(5-decyl-2-oxooxolan-3-yl)acetaldehyde is CCCCCCCCCCC1CC(CC=O)C(=O)O1.
What is the InChIKey of 2-(5-decyl-2-oxooxolan-3-yl)acetaldehyde?
The InChIKey is HFRTUPRNAAOTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-15-13-14(11-12-17)16(18)19-15/h12,14-15H,2-11,13H2,1H3.
What are the key properties of 2-(5-decyl-2-oxooxolan-3-yl)acetaldehyde?
2-(5-decyl-2-oxooxolan-3-yl)acetaldehyde has a molecular weight of 268.40 g/mol, XLogP of 4.04, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-decyl-2-oxooxolan-3-yl)acetaldehyde is sourced from PubChem (CID 162820242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).