5-hydroxypentanal;oxan-2-ol

C10H20O4 — CID 16639559

IUPAC5-hydroxypentanal;oxan-2-ol
SMILESO=CCCCCO.OC1CCCCO1
InChIInChI=1S/2C5H10O2/c6-5-3-1-2-4-7-5;6-4-2-1-3-5-7/h5-6H,1-4H2;4,7H,1-3,5H2
InChIKeyXGOISVMUHUCVPC-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.85
Rot. Bonds4

About 5-hydroxypentanal;oxan-2-ol

5-hydroxypentanal;oxan-2-ol (PubChem CID 16639559) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-hydroxypentanal;oxan-2-ol.

Molecular Properties

Compound Name5-hydroxypentanal;oxan-2-ol
PubChem CID16639559
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name5-hydroxypentanal;oxan-2-ol
SMILESO=CCCCCO.OC1CCCCO1
InChIInChI=1S/2C5H10O2/c6-5-3-1-2-4-7-5;6-4-2-1-3-5-7/h5-6H,1-4H2;4,7H,1-3,5H2
InChIKeyXGOISVMUHUCVPC-UHFFFAOYSA-N
XLogP0.85
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentanal;oxan-2-ol?
The IUPAC name of 5-hydroxypentanal;oxan-2-ol (CID 16639559) is 5-hydroxypentanal;oxan-2-ol.
What is the SMILES notation for 5-hydroxypentanal;oxan-2-ol?
The canonical SMILES for 5-hydroxypentanal;oxan-2-ol is O=CCCCCO.OC1CCCCO1.
What is the InChIKey of 5-hydroxypentanal;oxan-2-ol?
The InChIKey is XGOISVMUHUCVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10O2/c6-5-3-1-2-4-7-5;6-4-2-1-3-5-7/h5-6H,1-4H2;4,7H,1-3,5H2.
What are the key properties of 5-hydroxypentanal;oxan-2-ol?
5-hydroxypentanal;oxan-2-ol has a molecular weight of 204.27 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentanal;oxan-2-ol is sourced from PubChem (CID 16639559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).