5-[(1R)-2-pentylcyclopent-2-en-1-yl]oxypentanal

C15H26O2 — CID 175808273

IUPAC5-[(1R)-2-pentylcyclopent-2-en-1-yl]oxypentanal
SMILESCCCCCC1=CCC[C@H]1OCCCCC=O
InChIInChI=1S/C15H26O2/c1-2-3-5-9-14-10-8-11-15(14)17-13-7-4-6-12-16/h10,12,15H,2-9,11,13H2,1H3/t15-/m1/s1
InChIKeyAUMBMBHWNZPTRI-OAHLLOKOSA-N
MW238.37 g/mol
LogP4.04
Rot. Bonds10

About 5-[(1R)-2-pentylcyclopent-2-en-1-yl]oxypentanal

5-[(1R)-2-pentylcyclopent-2-en-1-yl]oxypentanal (PubChem CID 175808273) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-[(1R)-2-pentylcyclopent-2-en-1-yl]oxypentanal.

Molecular Properties

Compound Name5-[(1R)-2-pentylcyclopent-2-en-1-yl]oxypentanal
PubChem CID175808273
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name5-[(1R)-2-pentylcyclopent-2-en-1-yl]oxypentanal
SMILESCCCCCC1=CCC[C@H]1OCCCCC=O
InChIInChI=1S/C15H26O2/c1-2-3-5-9-14-10-8-11-15(14)17-13-7-4-6-12-16/h10,12,15H,2-9,11,13H2,1H3/t15-/m1/s1
InChIKeyAUMBMBHWNZPTRI-OAHLLOKOSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.04
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-2-pentylcyclopent-2-en-1-yl]oxypentanal?
The IUPAC name of 5-[(1R)-2-pentylcyclopent-2-en-1-yl]oxypentanal (CID 175808273) is 5-[(1R)-2-pentylcyclopent-2-en-1-yl]oxypentanal.
What is the SMILES notation for 5-[(1R)-2-pentylcyclopent-2-en-1-yl]oxypentanal?
The canonical SMILES for 5-[(1R)-2-pentylcyclopent-2-en-1-yl]oxypentanal is CCCCCC1=CCC[C@H]1OCCCCC=O.
What is the InChIKey of 5-[(1R)-2-pentylcyclopent-2-en-1-yl]oxypentanal?
The InChIKey is AUMBMBHWNZPTRI-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-3-5-9-14-10-8-11-15(14)17-13-7-4-6-12-16/h10,12,15H,2-9,11,13H2,1H3/t15-/m1/s1.
What are the key properties of 5-[(1R)-2-pentylcyclopent-2-en-1-yl]oxypentanal?
5-[(1R)-2-pentylcyclopent-2-en-1-yl]oxypentanal has a molecular weight of 238.37 g/mol, XLogP of 4.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-2-pentylcyclopent-2-en-1-yl]oxypentanal is sourced from PubChem (CID 175808273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).