9-(oxan-2-yloxy)non-1-en-6-yn-5-ol

C14H22O3 — CID 71418971

IUPAC9-(oxan-2-yloxy)non-1-en-6-yn-5-ol
SMILESC=CCCC(O)C#CCCOC1CCCCO1
InChIInChI=1S/C14H22O3/c1-2-3-8-13(15)9-4-6-11-16-14-10-5-7-12-17-14/h2,13-15H,1,3,5-8,10-12H2
InChIKeyLSVWLFDBLFXHFK-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.25
Rot. Bonds6

About 9-(oxan-2-yloxy)non-1-en-6-yn-5-ol

9-(oxan-2-yloxy)non-1-en-6-yn-5-ol (PubChem CID 71418971) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 9-(oxan-2-yloxy)non-1-en-6-yn-5-ol.

Molecular Properties

Compound Name9-(oxan-2-yloxy)non-1-en-6-yn-5-ol
PubChem CID71418971
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name9-(oxan-2-yloxy)non-1-en-6-yn-5-ol
SMILESC=CCCC(O)C#CCCOC1CCCCO1
InChIInChI=1S/C14H22O3/c1-2-3-8-13(15)9-4-6-11-16-14-10-5-7-12-17-14/h2,13-15H,1,3,5-8,10-12H2
InChIKeyLSVWLFDBLFXHFK-UHFFFAOYSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.25
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(oxan-2-yloxy)non-1-en-6-yn-5-ol?
The IUPAC name of 9-(oxan-2-yloxy)non-1-en-6-yn-5-ol (CID 71418971) is 9-(oxan-2-yloxy)non-1-en-6-yn-5-ol.
What is the SMILES notation for 9-(oxan-2-yloxy)non-1-en-6-yn-5-ol?
The canonical SMILES for 9-(oxan-2-yloxy)non-1-en-6-yn-5-ol is C=CCCC(O)C#CCCOC1CCCCO1.
What is the InChIKey of 9-(oxan-2-yloxy)non-1-en-6-yn-5-ol?
The InChIKey is LSVWLFDBLFXHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-2-3-8-13(15)9-4-6-11-16-14-10-5-7-12-17-14/h2,13-15H,1,3,5-8,10-12H2.
What are the key properties of 9-(oxan-2-yloxy)non-1-en-6-yn-5-ol?
9-(oxan-2-yloxy)non-1-en-6-yn-5-ol has a molecular weight of 238.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxan-2-yloxy)non-1-en-6-yn-5-ol is sourced from PubChem (CID 71418971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).