10-(oxan-2-yloxy)dec-1-en-6-yn-5-ol

C15H24O3 — CID 71418974

IUPAC10-(oxan-2-yloxy)dec-1-en-6-yn-5-ol
SMILESC=CCCC(O)C#CCCCOC1CCCCO1
InChIInChI=1S/C15H24O3/c1-2-3-9-14(16)10-5-4-7-12-17-15-11-6-8-13-18-15/h2,14-16H,1,3-4,6-9,11-13H2
InChIKeySBMWMTIMYDWZPG-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.64
Rot. Bonds7

About 10-(oxan-2-yloxy)dec-1-en-6-yn-5-ol

10-(oxan-2-yloxy)dec-1-en-6-yn-5-ol (PubChem CID 71418974) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 10-(oxan-2-yloxy)dec-1-en-6-yn-5-ol.

Molecular Properties

Compound Name10-(oxan-2-yloxy)dec-1-en-6-yn-5-ol
PubChem CID71418974
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name10-(oxan-2-yloxy)dec-1-en-6-yn-5-ol
SMILESC=CCCC(O)C#CCCCOC1CCCCO1
InChIInChI=1S/C15H24O3/c1-2-3-9-14(16)10-5-4-7-12-17-15-11-6-8-13-18-15/h2,14-16H,1,3-4,6-9,11-13H2
InChIKeySBMWMTIMYDWZPG-UHFFFAOYSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(oxan-2-yloxy)dec-1-en-6-yn-5-ol?
The IUPAC name of 10-(oxan-2-yloxy)dec-1-en-6-yn-5-ol (CID 71418974) is 10-(oxan-2-yloxy)dec-1-en-6-yn-5-ol.
What is the SMILES notation for 10-(oxan-2-yloxy)dec-1-en-6-yn-5-ol?
The canonical SMILES for 10-(oxan-2-yloxy)dec-1-en-6-yn-5-ol is C=CCCC(O)C#CCCCOC1CCCCO1.
What is the InChIKey of 10-(oxan-2-yloxy)dec-1-en-6-yn-5-ol?
The InChIKey is SBMWMTIMYDWZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-2-3-9-14(16)10-5-4-7-12-17-15-11-6-8-13-18-15/h2,14-16H,1,3-4,6-9,11-13H2.
What are the key properties of 10-(oxan-2-yloxy)dec-1-en-6-yn-5-ol?
10-(oxan-2-yloxy)dec-1-en-6-yn-5-ol has a molecular weight of 252.35 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 10-(oxan-2-yloxy)dec-1-en-6-yn-5-ol is sourced from PubChem (CID 71418974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).