2,2-dicyclohexyl-5-ethyldecanal

C24H44O — CID 88668577

IUPAC2,2-dicyclohexyl-5-ethyldecanal
SMILESCCCCCC(CC)CCC(C=O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H44O/c1-3-5-8-13-21(4-2)18-19-24(20-25,22-14-9-6-10-15-22)23-16-11-7-12-17-23/h20-23H,3-19H2,1-2H3
InChIKeyFMCHQNNPVLBCGA-UHFFFAOYSA-N
MW348.62 g/mol
LogP7.72
Rot. Bonds11

About 2,2-dicyclohexyl-5-ethyldecanal

2,2-dicyclohexyl-5-ethyldecanal (PubChem CID 88668577) has the molecular formula C24H44O and a molecular weight of 348.62 g/mol. Its IUPAC name is 2,2-dicyclohexyl-5-ethyldecanal.

Molecular Properties

Compound Name2,2-dicyclohexyl-5-ethyldecanal
PubChem CID88668577
Molecular FormulaC24H44O
Molecular Weight348.62 g/mol
Exact Mass348.34
IUPAC Name2,2-dicyclohexyl-5-ethyldecanal
SMILESCCCCCC(CC)CCC(C=O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H44O/c1-3-5-8-13-21(4-2)18-19-24(20-25,22-14-9-6-10-15-22)23-16-11-7-12-17-23/h20-23H,3-19H2,1-2H3
InChIKeyFMCHQNNPVLBCGA-UHFFFAOYSA-N
XLogP7.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 57.72
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'}

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Related Compounds

2,2-dicyclohexyl-5-propyloctanal
CID 88668514
2,2-dicyclohexyldecanal
CID 88668774
2-cyclohexyl-2-(4-pentylcyclohexyl)butanal
CID 88669348
butylcyclohexane;4-ethylundecane
CID 174961774
N-(2-ethyldodecyl)cyclopropanamine
CID 63521510
2,3-dimethyloctan-2-ylcyclohexane;ethane
CID 143333378
2-cyclohexyl-2-hydroxyhexanal
CID 174819252
N-(2-ethylheptyl)piperidin-4-amine
CID 69327610
5-ethyl-2,2-dimethyltetradecane
CID 162426700
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
12-ethylhentriacontane
CID 91805956

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexyl-5-ethyldecanal?
The IUPAC name of 2,2-dicyclohexyl-5-ethyldecanal (CID 88668577) is 2,2-dicyclohexyl-5-ethyldecanal.
What is the SMILES notation for 2,2-dicyclohexyl-5-ethyldecanal?
The canonical SMILES for 2,2-dicyclohexyl-5-ethyldecanal is CCCCCC(CC)CCC(C=O)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2,2-dicyclohexyl-5-ethyldecanal?
The InChIKey is FMCHQNNPVLBCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O/c1-3-5-8-13-21(4-2)18-19-24(20-25,22-14-9-6-10-15-22)23-16-11-7-12-17-23/h20-23H,3-19H2,1-2H3.
What are the key properties of 2,2-dicyclohexyl-5-ethyldecanal?
2,2-dicyclohexyl-5-ethyldecanal has a molecular weight of 348.62 g/mol, XLogP of 7.72, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexyl-5-ethyldecanal is sourced from PubChem (CID 88668577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).