2-cyclohexyl-3-cyclopentyl-3-oxopropanal

C14H22O2 — CID 57088272

IUPAC2-cyclohexyl-3-cyclopentyl-3-oxopropanal
SMILESO=CC(C(=O)C1CCCC1)C1CCCCC1
InChIInChI=1S/C14H22O2/c15-10-13(11-6-2-1-3-7-11)14(16)12-8-4-5-9-12/h10-13H,1-9H2
InChIKeyYGJBJARHAVHRSQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.14
Rot. Bonds4

About 2-cyclohexyl-3-cyclopentyl-3-oxopropanal

2-cyclohexyl-3-cyclopentyl-3-oxopropanal (PubChem CID 57088272) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-cyclohexyl-3-cyclopentyl-3-oxopropanal.

Molecular Properties

Compound Name2-cyclohexyl-3-cyclopentyl-3-oxopropanal
PubChem CID57088272
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-cyclohexyl-3-cyclopentyl-3-oxopropanal
SMILESO=CC(C(=O)C1CCCC1)C1CCCCC1
InChIInChI=1S/C14H22O2/c15-10-13(11-6-2-1-3-7-11)14(16)12-8-4-5-9-12/h10-13H,1-9H2
InChIKeyYGJBJARHAVHRSQ-UHFFFAOYSA-N
XLogP3.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-2-methyl-3-oxopropanal;ethane
CID 145129838
2,2-dichloro-1-cycloheptylethanone
CID 45081064
1-cyclohexyl-2,2-bis(sulfanyl)ethanone
CID 87477865
(2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone
CID 88971948
1,2-dicyclohexyl-2-ethoxyethanone
CID 70193866
2-bromo-3-cyclohexyl-1-cyclopropylpropan-1-one
CID 86710020
(3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal
CID 87862322
(2S)-2-(cyclohexylamino)propanal
CID 18666973
2-cyclopentyl-2-oxoacetaldehyde
CID 21413208
1,2,2-tricyclohexylethylcyclohexane
CID 59850833
1,2-dicyclohexylhexadecan-1-one
CID 142760088
2-(aminomethyl)-3-cyclohexyl-3-oxopropanoic acid
CID 141155147

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-cyclopentyl-3-oxopropanal?
The IUPAC name of 2-cyclohexyl-3-cyclopentyl-3-oxopropanal (CID 57088272) is 2-cyclohexyl-3-cyclopentyl-3-oxopropanal.
What is the SMILES notation for 2-cyclohexyl-3-cyclopentyl-3-oxopropanal?
The canonical SMILES for 2-cyclohexyl-3-cyclopentyl-3-oxopropanal is O=CC(C(=O)C1CCCC1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-cyclopentyl-3-oxopropanal?
The InChIKey is YGJBJARHAVHRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c15-10-13(11-6-2-1-3-7-11)14(16)12-8-4-5-9-12/h10-13H,1-9H2.
What are the key properties of 2-cyclohexyl-3-cyclopentyl-3-oxopropanal?
2-cyclohexyl-3-cyclopentyl-3-oxopropanal has a molecular weight of 222.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-cyclopentyl-3-oxopropanal is sourced from PubChem (CID 57088272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).