8-(oxan-2-yloxy)oct-1-en-3-ol

C13H24O3 — CID 11218441

IUPAC8-(oxan-2-yloxy)oct-1-en-3-ol
SMILESC=CC(O)CCCCCOC1CCCCO1
InChIInChI=1S/C13H24O3/c1-2-12(14)8-4-3-6-10-15-13-9-5-7-11-16-13/h2,12-14H,1,3-11H2
InChIKeySJTOJDNNYZQALS-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.64
Rot. Bonds8

About 8-(oxan-2-yloxy)oct-1-en-3-ol

8-(oxan-2-yloxy)oct-1-en-3-ol (PubChem CID 11218441) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 8-(oxan-2-yloxy)oct-1-en-3-ol.

Molecular Properties

Compound Name8-(oxan-2-yloxy)oct-1-en-3-ol
PubChem CID11218441
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name8-(oxan-2-yloxy)oct-1-en-3-ol
SMILESC=CC(O)CCCCCOC1CCCCO1
InChIInChI=1S/C13H24O3/c1-2-12(14)8-4-3-6-10-15-13-9-5-7-11-16-13/h2,12-14H,1,3-11H2
InChIKeySJTOJDNNYZQALS-UHFFFAOYSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of 8-(oxan-2-yloxy)oct-1-en-3-ol?
The IUPAC name of 8-(oxan-2-yloxy)oct-1-en-3-ol (CID 11218441) is 8-(oxan-2-yloxy)oct-1-en-3-ol.
What is the SMILES notation for 8-(oxan-2-yloxy)oct-1-en-3-ol?
The canonical SMILES for 8-(oxan-2-yloxy)oct-1-en-3-ol is C=CC(O)CCCCCOC1CCCCO1.
What is the InChIKey of 8-(oxan-2-yloxy)oct-1-en-3-ol?
The InChIKey is SJTOJDNNYZQALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-2-12(14)8-4-3-6-10-15-13-9-5-7-11-16-13/h2,12-14H,1,3-11H2.
What are the key properties of 8-(oxan-2-yloxy)oct-1-en-3-ol?
8-(oxan-2-yloxy)oct-1-en-3-ol has a molecular weight of 228.33 g/mol, XLogP of 2.64, 8 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-1-en-3-ol is sourced from PubChem (CID 11218441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).