2,2-dicyclohexyldecanal

C22H40O — CID 88668774

IUPAC2,2-dicyclohexyldecanal
SMILESCCCCCCCCC(C=O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H40O/c1-2-3-4-5-6-13-18-22(19-23,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h19-21H,2-18H2,1H3
InChIKeyZJDFLFDYFWMPTH-UHFFFAOYSA-N
MW320.56 g/mol
LogP7.08
Rot. Bonds10

About 2,2-dicyclohexyldecanal

2,2-dicyclohexyldecanal (PubChem CID 88668774) has the molecular formula C22H40O and a molecular weight of 320.56 g/mol. Its IUPAC name is 2,2-dicyclohexyldecanal.

Molecular Properties

Compound Name2,2-dicyclohexyldecanal
PubChem CID88668774
Molecular FormulaC22H40O
Molecular Weight320.56 g/mol
Exact Mass320.31
IUPAC Name2,2-dicyclohexyldecanal
SMILESCCCCCCCCC(C=O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H40O/c1-2-3-4-5-6-13-18-22(19-23,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h19-21H,2-18H2,1H3
InChIKeyZJDFLFDYFWMPTH-UHFFFAOYSA-N
XLogP7.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.56
LogP ≤ 57.08
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-ethyldecanal
CID 88668577
2-cyclohexyl-2-(4-pentylcyclohexyl)butanal
CID 88669348
2,2-dicyclohexyl-5-propyloctanal
CID 88668514
6-cyclohexylundecan-6-ylcyclohexane
CID 140522686
2-cyclohexyl-2-hydroxyhexanal
CID 174819252
3-cyclohexylnonan-3-ylphosphane
CID 174798619
2-(2-cyclohexyloctan-2-yloxy)octan-2-ylcyclohexane
CID 139747776
6,15-dicyclohexylpentadecan-6-ylcyclohexane
CID 143323723
(1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane
CID 70467825
2-cyclopentyl-2-methyldecanoic acid
CID 175087816
2-cyclohexyl-2-hexylhexanedioic acid
CID 66598737
[1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane
CID 112571210

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexyldecanal?
The IUPAC name of 2,2-dicyclohexyldecanal (CID 88668774) is 2,2-dicyclohexyldecanal.
What is the SMILES notation for 2,2-dicyclohexyldecanal?
The canonical SMILES for 2,2-dicyclohexyldecanal is CCCCCCCCC(C=O)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2,2-dicyclohexyldecanal?
The InChIKey is ZJDFLFDYFWMPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O/c1-2-3-4-5-6-13-18-22(19-23,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h19-21H,2-18H2,1H3.
What are the key properties of 2,2-dicyclohexyldecanal?
2,2-dicyclohexyldecanal has a molecular weight of 320.56 g/mol, XLogP of 7.08, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexyldecanal is sourced from PubChem (CID 88668774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).