5-(oxan-3-yloxy)pent-2-en-1-ol

C10H18O3 — CID 67149108

IUPAC5-(oxan-3-yloxy)pent-2-en-1-ol
SMILESOCC=CCCOC1CCCOC1
InChIInChI=1S/C10H18O3/c11-6-2-1-3-8-13-10-5-4-7-12-9-10/h1-2,10-11H,3-9H2
InChIKeyANVPTJPHVYMEKT-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.12
Rot. Bonds5

About 5-(oxan-3-yloxy)pent-2-en-1-ol

5-(oxan-3-yloxy)pent-2-en-1-ol (PubChem CID 67149108) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 5-(oxan-3-yloxy)pent-2-en-1-ol.

Molecular Properties

Compound Name5-(oxan-3-yloxy)pent-2-en-1-ol
PubChem CID67149108
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name5-(oxan-3-yloxy)pent-2-en-1-ol
SMILESOCC=CCCOC1CCCOC1
InChIInChI=1S/C10H18O3/c11-6-2-1-3-8-13-10-5-4-7-12-9-10/h1-2,10-11H,3-9H2
InChIKeyANVPTJPHVYMEKT-UHFFFAOYSA-N
XLogP1.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(oxan-3-yloxy)pent-2-en-1-ol?
The IUPAC name of 5-(oxan-3-yloxy)pent-2-en-1-ol (CID 67149108) is 5-(oxan-3-yloxy)pent-2-en-1-ol.
What is the SMILES notation for 5-(oxan-3-yloxy)pent-2-en-1-ol?
The canonical SMILES for 5-(oxan-3-yloxy)pent-2-en-1-ol is OCC=CCCOC1CCCOC1.
What is the InChIKey of 5-(oxan-3-yloxy)pent-2-en-1-ol?
The InChIKey is ANVPTJPHVYMEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c11-6-2-1-3-8-13-10-5-4-7-12-9-10/h1-2,10-11H,3-9H2.
What are the key properties of 5-(oxan-3-yloxy)pent-2-en-1-ol?
5-(oxan-3-yloxy)pent-2-en-1-ol has a molecular weight of 186.25 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-3-yloxy)pent-2-en-1-ol is sourced from PubChem (CID 67149108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).