8-(oxan-2-yloxy)oct-5-en-4-ol

C13H24O3 — CID 71414268

IUPAC8-(oxan-2-yloxy)oct-5-en-4-ol
SMILESCCCC(O)C=CCCOC1CCCCO1
InChIInChI=1S/C13H24O3/c1-2-7-12(14)8-3-5-10-15-13-9-4-6-11-16-13/h3,8,12-14H,2,4-7,9-11H2,1H3
InChIKeyKBXAXWNAKRQVTO-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.64
Rot. Bonds7

About 8-(oxan-2-yloxy)oct-5-en-4-ol

8-(oxan-2-yloxy)oct-5-en-4-ol (PubChem CID 71414268) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 8-(oxan-2-yloxy)oct-5-en-4-ol.

Molecular Properties

Compound Name8-(oxan-2-yloxy)oct-5-en-4-ol
PubChem CID71414268
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name8-(oxan-2-yloxy)oct-5-en-4-ol
SMILESCCCC(O)C=CCCOC1CCCCO1
InChIInChI=1S/C13H24O3/c1-2-7-12(14)8-3-5-10-15-13-9-4-6-11-16-13/h3,8,12-14H,2,4-7,9-11H2,1H3
InChIKeyKBXAXWNAKRQVTO-UHFFFAOYSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.64
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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Related Compounds

2-[(3Z,5E)-nona-3,5-dienoxy]oxane
CID 177457132
2-[(E)-dec-3-enoxy]oxane
CID 15649194
2-[(Z)-4-iodobut-3-enoxy]oxane
CID 10423866
5-(oxan-2-yloxy)pent-1-en-3-ol
CID 15194608
2-(3-methylpentoxy)oxane
CID 14309360
ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate
CID 15839787
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
CID 125486039
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
2-hept-3-enoxyoxetane
CID 54540025
2-(2-propylpentoxy)oxane
CID 175998246
ethyl 10-(oxan-2-yloxy)dec-7-enoate
CID 71375954

Frequently Asked Questions

What is the IUPAC name of 8-(oxan-2-yloxy)oct-5-en-4-ol?
The IUPAC name of 8-(oxan-2-yloxy)oct-5-en-4-ol (CID 71414268) is 8-(oxan-2-yloxy)oct-5-en-4-ol.
What is the SMILES notation for 8-(oxan-2-yloxy)oct-5-en-4-ol?
The canonical SMILES for 8-(oxan-2-yloxy)oct-5-en-4-ol is CCCC(O)C=CCCOC1CCCCO1.
What is the InChIKey of 8-(oxan-2-yloxy)oct-5-en-4-ol?
The InChIKey is KBXAXWNAKRQVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-2-7-12(14)8-3-5-10-15-13-9-4-6-11-16-13/h3,8,12-14H,2,4-7,9-11H2,1H3.
What are the key properties of 8-(oxan-2-yloxy)oct-5-en-4-ol?
8-(oxan-2-yloxy)oct-5-en-4-ol has a molecular weight of 228.33 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxan-2-yloxy)oct-5-en-4-ol is sourced from PubChem (CID 71414268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).