2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[8-(oxan-2-yloxy)octyl]cyclopentyl]acetaldehyde

C25H44O6 — CID 22789133

IUPAC2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[8-(oxan-2-yloxy)octyl]cyclopentyl]acetaldehyde
SMILESO=CC[C@@H]1[C@@H](CCCCCCCCOC2CCCCO2)[C@H](OC2CCCCO2)C[C@@H]1O
InChIInChI=1S/C25H44O6/c26-15-14-20-21(23(19-22(20)27)31-25-13-7-10-18-30-25)11-5-3-1-2-4-8-16-28-24-12-6-9-17-29-24/h15,20-25,27H,1-14,16-19H2/t20-,21-,22+,23-,24?,25?/m1/s1
InChIKeyACLSEMZUEMDOOC-LTVZJRKOSA-N
MW440.62 g/mol
LogP4.76
Rot. Bonds14

About 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[8-(oxan-2-yloxy)octyl]cyclopentyl]acetaldehyde

2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[8-(oxan-2-yloxy)octyl]cyclopentyl]acetaldehyde (PubChem CID 22789133) has the molecular formula C25H44O6 and a molecular weight of 440.62 g/mol. Its IUPAC name is 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[8-(oxan-2-yloxy)octyl]cyclopentyl]acetaldehyde.

Molecular Properties

Compound Name2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[8-(oxan-2-yloxy)octyl]cyclopentyl]acetaldehyde
PubChem CID22789133
Molecular FormulaC25H44O6
Molecular Weight440.62 g/mol
Exact Mass440.31
IUPAC Name2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[8-(oxan-2-yloxy)octyl]cyclopentyl]acetaldehyde
SMILESO=CC[C@@H]1[C@@H](CCCCCCCCOC2CCCCO2)[C@H](OC2CCCCO2)C[C@@H]1O
InChIInChI=1S/C25H44O6/c26-15-14-20-21(23(19-22(20)27)31-25-13-7-10-18-30-25)11-5-3-1-2-4-8-16-28-24-12-6-9-17-29-24/h15,20-25,27H,1-14,16-19H2/t20-,21-,22+,23-,24?,25?/m1/s1
InChIKeyACLSEMZUEMDOOC-LTVZJRKOSA-N
XLogP4.76
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.62
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[8-(oxan-2-yloxy)octyl]cyclopentyl]acetaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[8-(oxan-2-yloxy)octyl]cyclopentyl]acetaldehyde?
The IUPAC name of 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[8-(oxan-2-yloxy)octyl]cyclopentyl]acetaldehyde (CID 22789133) is 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[8-(oxan-2-yloxy)octyl]cyclopentyl]acetaldehyde.
What is the SMILES notation for 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[8-(oxan-2-yloxy)octyl]cyclopentyl]acetaldehyde?
The canonical SMILES for 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[8-(oxan-2-yloxy)octyl]cyclopentyl]acetaldehyde is O=CC[C@@H]1[C@@H](CCCCCCCCOC2CCCCO2)[C@H](OC2CCCCO2)C[C@@H]1O.
What is the InChIKey of 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[8-(oxan-2-yloxy)octyl]cyclopentyl]acetaldehyde?
The InChIKey is ACLSEMZUEMDOOC-LTVZJRKOSA-N. The full InChI is InChI=1S/C25H44O6/c26-15-14-20-21(23(19-22(20)27)31-25-13-7-10-18-30-25)11-5-3-1-2-4-8-16-28-24-12-6-9-17-29-24/h15,20-25,27H,1-14,16-19H2/t20-,21-,22+,23-,24?,25?/m1/s1.
What are the key properties of 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[8-(oxan-2-yloxy)octyl]cyclopentyl]acetaldehyde?
2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[8-(oxan-2-yloxy)octyl]cyclopentyl]acetaldehyde has a molecular weight of 440.62 g/mol, XLogP of 4.76, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[8-(oxan-2-yloxy)octyl]cyclopentyl]acetaldehyde is sourced from PubChem (CID 22789133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).