2-[5-hydroxy-2-(3-hydroxy-4-phenylpentyl)-3-(oxan-2-yloxy)cyclopentyl]acetaldehyde

C23H34O5 — CID 21450057

IUPAC2-[5-hydroxy-2-(3-hydroxy-4-phenylpentyl)-3-(oxan-2-yloxy)cyclopentyl]acetaldehyde
SMILESCC(c1ccccc1)C(O)CCC1C(OC2CCCCO2)CC(O)C1CC=O
InChIInChI=1S/C23H34O5/c1-16(17-7-3-2-4-8-17)20(25)11-10-19-18(12-13-24)21(26)15-22(19)28-23-9-5-6-14-27-23/h2-4,7-8,13,16,18-23,25-26H,5-6,9-12,14-15H2,1H3
InChIKeyIQWHESBCJCBNND-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.43
Rot. Bonds9

About 2-[5-hydroxy-2-(3-hydroxy-4-phenylpentyl)-3-(oxan-2-yloxy)cyclopentyl]acetaldehyde

2-[5-hydroxy-2-(3-hydroxy-4-phenylpentyl)-3-(oxan-2-yloxy)cyclopentyl]acetaldehyde (PubChem CID 21450057) has the molecular formula C23H34O5 and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-[5-hydroxy-2-(3-hydroxy-4-phenylpentyl)-3-(oxan-2-yloxy)cyclopentyl]acetaldehyde.

Molecular Properties

Compound Name2-[5-hydroxy-2-(3-hydroxy-4-phenylpentyl)-3-(oxan-2-yloxy)cyclopentyl]acetaldehyde
PubChem CID21450057
Molecular FormulaC23H34O5
Molecular Weight390.52 g/mol
Exact Mass390.24
IUPAC Name2-[5-hydroxy-2-(3-hydroxy-4-phenylpentyl)-3-(oxan-2-yloxy)cyclopentyl]acetaldehyde
SMILESCC(c1ccccc1)C(O)CCC1C(OC2CCCCO2)CC(O)C1CC=O
InChIInChI=1S/C23H34O5/c1-16(17-7-3-2-4-8-17)20(25)11-10-19-18(12-13-24)21(26)15-22(19)28-23-9-5-6-14-27-23/h2-4,7-8,13,16,18-23,25-26H,5-6,9-12,14-15H2,1H3
InChIKeyIQWHESBCJCBNND-UHFFFAOYSA-N
XLogP3.43
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-2-(3-hydroxy-4-phenylpentyl)-3-(oxan-2-yloxy)cyclopentyl]acetaldehyde?
The IUPAC name of 2-[5-hydroxy-2-(3-hydroxy-4-phenylpentyl)-3-(oxan-2-yloxy)cyclopentyl]acetaldehyde (CID 21450057) is 2-[5-hydroxy-2-(3-hydroxy-4-phenylpentyl)-3-(oxan-2-yloxy)cyclopentyl]acetaldehyde.
What is the SMILES notation for 2-[5-hydroxy-2-(3-hydroxy-4-phenylpentyl)-3-(oxan-2-yloxy)cyclopentyl]acetaldehyde?
The canonical SMILES for 2-[5-hydroxy-2-(3-hydroxy-4-phenylpentyl)-3-(oxan-2-yloxy)cyclopentyl]acetaldehyde is CC(c1ccccc1)C(O)CCC1C(OC2CCCCO2)CC(O)C1CC=O.
What is the InChIKey of 2-[5-hydroxy-2-(3-hydroxy-4-phenylpentyl)-3-(oxan-2-yloxy)cyclopentyl]acetaldehyde?
The InChIKey is IQWHESBCJCBNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O5/c1-16(17-7-3-2-4-8-17)20(25)11-10-19-18(12-13-24)21(26)15-22(19)28-23-9-5-6-14-27-23/h2-4,7-8,13,16,18-23,25-26H,5-6,9-12,14-15H2,1H3.
What are the key properties of 2-[5-hydroxy-2-(3-hydroxy-4-phenylpentyl)-3-(oxan-2-yloxy)cyclopentyl]acetaldehyde?
2-[5-hydroxy-2-(3-hydroxy-4-phenylpentyl)-3-(oxan-2-yloxy)cyclopentyl]acetaldehyde has a molecular weight of 390.52 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-2-(3-hydroxy-4-phenylpentyl)-3-(oxan-2-yloxy)cyclopentyl]acetaldehyde is sourced from PubChem (CID 21450057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).