(2R)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal

C19H34O2 — CID 10780179

IUPAC(2R)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal
SMILESCCCCCCCC[C@@H](C=O)C[C@H]1CCCCCCC1=O
InChIInChI=1S/C19H34O2/c1-2-3-4-5-6-9-12-17(16-20)15-18-13-10-7-8-11-14-19(18)21/h16-18H,2-15H2,1H3/t17-,18-/m1/s1
InChIKeyXSTXBJKRRZFJLG-QZTJIDSGSA-N
MW294.48 g/mol
LogP5.48
Rot. Bonds10

About (2R)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal

(2R)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal (PubChem CID 10780179) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is (2R)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal.

Molecular Properties

Compound Name(2R)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal
PubChem CID10780179
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name(2R)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal
SMILESCCCCCCCC[C@@H](C=O)C[C@H]1CCCCCCC1=O
InChIInChI=1S/C19H34O2/c1-2-3-4-5-6-9-12-17(16-20)15-18-13-10-7-8-11-14-19(18)21/h16-18H,2-15H2,1H3/t17-,18-/m1/s1
InChIKeyXSTXBJKRRZFJLG-QZTJIDSGSA-N
XLogP5.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal
CID 10589923
2-[(2-oxocyclopentyl)methyl]decanal
CID 15889850
2-nonylcyclododecan-1-one
CID 14296722
formic acid;2-pentylcyclohexan-1-one
CID 174877274
2-[(5-tert-butyl-2-oxocyclohexyl)methyl]decanal
CID 10853318
(2R)-2-pentylcyclohexan-1-one
CID 86310435
carbon monoxide;cobalt;2-hexylcyclohexan-1-one
CID 134877528
(2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one
CID 134987764
2-decylcyclopentan-1-one
CID 12823821
2-ethylcyclohexan-1-one;formic acid
CID 137364111
2-(2-oxoheptyl)cyclohexan-1-one
CID 68655143
2-butylcyclohexan-1-one;ethene
CID 174843360

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal?
The IUPAC name of (2R)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal (CID 10780179) is (2R)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal.
What is the SMILES notation for (2R)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal?
The canonical SMILES for (2R)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal is CCCCCCCC[C@@H](C=O)C[C@H]1CCCCCCC1=O.
What is the InChIKey of (2R)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal?
The InChIKey is XSTXBJKRRZFJLG-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H34O2/c1-2-3-4-5-6-9-12-17(16-20)15-18-13-10-7-8-11-14-19(18)21/h16-18H,2-15H2,1H3/t17-,18-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal?
(2R)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal has a molecular weight of 294.48 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal is sourced from PubChem (CID 10780179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).