(4R)-4-(oxan-2-yloxy)nonanal

C14H26O3 — CID 54007361

IUPAC(4R)-4-(oxan-2-yloxy)nonanal
SMILESCCCCC[C@H](CCC=O)OC1CCCCO1
InChIInChI=1S/C14H26O3/c1-2-3-4-8-13(9-7-11-15)17-14-10-5-6-12-16-14/h11,13-14H,2-10,12H2,1H3/t13-,14?/m1/s1
InChIKeyKPVHBHPGROIXMX-KWCCSABGSA-N
MW242.36 g/mol
LogP3.46
Rot. Bonds9

About (4R)-4-(oxan-2-yloxy)nonanal

(4R)-4-(oxan-2-yloxy)nonanal (PubChem CID 54007361) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (4R)-4-(oxan-2-yloxy)nonanal.

Molecular Properties

Compound Name(4R)-4-(oxan-2-yloxy)nonanal
PubChem CID54007361
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(4R)-4-(oxan-2-yloxy)nonanal
SMILESCCCCC[C@H](CCC=O)OC1CCCCO1
InChIInChI=1S/C14H26O3/c1-2-3-4-8-13(9-7-11-15)17-14-10-5-6-12-16-14/h11,13-14H,2-10,12H2,1H3/t13-,14?/m1/s1
InChIKeyKPVHBHPGROIXMX-KWCCSABGSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.46
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'}

Analyze (4R)-4-(oxan-2-yloxy)nonanal 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

2-[(3R)-octan-3-yl]oxyoxane
CID 145000966
(Z)-6-(oxan-2-yloxy)non-2-enoic acid
CID 101108345
(5R)-5-(oxan-2-yloxy)undec-1-en-3-ol
CID 11832481
7-(oxan-2-yloxy)dodec-2-yn-4-yl methanesulfonate
CID 172810498
(3S)-3-(oxan-2-yloxy)hexan-1-ol
CID 67829431
2-oct-1-en-3-yloxyoxane
CID 10727282
(7R)-7-methyl-10-(oxan-2-yloxy)henicosan-8-ol
CID 70401904
2-hexyl-3-hydroxy-5-(oxan-2-yloxy)hexadecanoic acid
CID 14852585
2-hexyl-3-hydroxy-5-[(2R)-oxan-2-yl]oxyhexadecanoic acid
CID 18639601
2-[3-[(2R)-oxan-2-yl]oxyheptanoyl]dodecanoic acid
CID 54308956
methyl (Z)-12-(oxan-2-yloxy)octadec-9-enoate
CID 10992948
3-hydroxy-2-methyl-5-(oxan-2-yloxy)hexadecanoic acid
CID 19794768

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(oxan-2-yloxy)nonanal?
The IUPAC name of (4R)-4-(oxan-2-yloxy)nonanal (CID 54007361) is (4R)-4-(oxan-2-yloxy)nonanal.
What is the SMILES notation for (4R)-4-(oxan-2-yloxy)nonanal?
The canonical SMILES for (4R)-4-(oxan-2-yloxy)nonanal is CCCCC[C@H](CCC=O)OC1CCCCO1.
What is the InChIKey of (4R)-4-(oxan-2-yloxy)nonanal?
The InChIKey is KPVHBHPGROIXMX-KWCCSABGSA-N. The full InChI is InChI=1S/C14H26O3/c1-2-3-4-8-13(9-7-11-15)17-14-10-5-6-12-16-14/h11,13-14H,2-10,12H2,1H3/t13-,14?/m1/s1.
What are the key properties of (4R)-4-(oxan-2-yloxy)nonanal?
(4R)-4-(oxan-2-yloxy)nonanal has a molecular weight of 242.36 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(oxan-2-yloxy)nonanal is sourced from PubChem (CID 54007361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).