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

C10H18O3 — CID 10888667

IUPAC(E)-5-(oxan-2-yloxy)pent-2-en-1-ol
SMILESOC/C=C/CCOC1CCCCO1
InChIInChI=1S/C10H18O3/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h1,3,10-11H,2,4-9H2/b3-1+
InChIKeyVMSHSTRJSCOQPT-HNQUOIGGSA-N
MW186.25 g/mol
LogP1.47
Rot. Bonds5

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

(E)-5-(oxan-2-yloxy)pent-2-en-1-ol (PubChem CID 10888667) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (E)-5-(oxan-2-yloxy)pent-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-(oxan-2-yloxy)pent-2-en-1-ol
PubChem CID10888667
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(E)-5-(oxan-2-yloxy)pent-2-en-1-ol
SMILESOC/C=C/CCOC1CCCCO1
InChIInChI=1S/C10H18O3/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h1,3,10-11H,2,4-9H2/b3-1+
InChIKeyVMSHSTRJSCOQPT-HNQUOIGGSA-N
XLogP1.47
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 ≤ 51.47
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 (E)-5-(oxan-2-yloxy)pent-2-en-1-ol?
The IUPAC name of (E)-5-(oxan-2-yloxy)pent-2-en-1-ol (CID 10888667) is (E)-5-(oxan-2-yloxy)pent-2-en-1-ol.
What is the SMILES notation for (E)-5-(oxan-2-yloxy)pent-2-en-1-ol?
The canonical SMILES for (E)-5-(oxan-2-yloxy)pent-2-en-1-ol is OC/C=C/CCOC1CCCCO1.
What is the InChIKey of (E)-5-(oxan-2-yloxy)pent-2-en-1-ol?
The InChIKey is VMSHSTRJSCOQPT-HNQUOIGGSA-N. The full InChI is InChI=1S/C10H18O3/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h1,3,10-11H,2,4-9H2/b3-1+.
What are the key properties of (E)-5-(oxan-2-yloxy)pent-2-en-1-ol?
(E)-5-(oxan-2-yloxy)pent-2-en-1-ol has a molecular weight of 186.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(oxan-2-yloxy)pent-2-en-1-ol is sourced from PubChem (CID 10888667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).