1-(3-hydroxydec-1-enoxy)dec-1-en-3-ol

C20H38O3 — CID 57117434

IUPAC1-(3-hydroxydec-1-enoxy)dec-1-en-3-ol
SMILESCCCCCCCC(O)C=COC=CC(O)CCCCCCC
InChIInChI=1S/C20H38O3/c1-3-5-7-9-11-13-19(21)15-17-23-18-16-20(22)14-12-10-8-6-4-2/h15-22H,3-14H2,1-2H3
InChIKeyIZQWTAGSSFOXIP-UHFFFAOYSA-N
MW326.52 g/mol
LogP5.47
Rot. Bonds16

About 1-(3-hydroxydec-1-enoxy)dec-1-en-3-ol

1-(3-hydroxydec-1-enoxy)dec-1-en-3-ol (PubChem CID 57117434) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 1-(3-hydroxydec-1-enoxy)dec-1-en-3-ol.

Molecular Properties

Compound Name1-(3-hydroxydec-1-enoxy)dec-1-en-3-ol
PubChem CID57117434
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name1-(3-hydroxydec-1-enoxy)dec-1-en-3-ol
SMILESCCCCCCCC(O)C=COC=CC(O)CCCCCCC
InChIInChI=1S/C20H38O3/c1-3-5-7-9-11-13-19(21)15-17-23-18-16-20(22)14-12-10-8-6-4-2/h15-22H,3-14H2,1-2H3
InChIKeyIZQWTAGSSFOXIP-UHFFFAOYSA-N
XLogP5.47
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxydec-1-enoxy)dec-1-en-3-ol?
The IUPAC name of 1-(3-hydroxydec-1-enoxy)dec-1-en-3-ol (CID 57117434) is 1-(3-hydroxydec-1-enoxy)dec-1-en-3-ol.
What is the SMILES notation for 1-(3-hydroxydec-1-enoxy)dec-1-en-3-ol?
The canonical SMILES for 1-(3-hydroxydec-1-enoxy)dec-1-en-3-ol is CCCCCCCC(O)C=COC=CC(O)CCCCCCC.
What is the InChIKey of 1-(3-hydroxydec-1-enoxy)dec-1-en-3-ol?
The InChIKey is IZQWTAGSSFOXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c1-3-5-7-9-11-13-19(21)15-17-23-18-16-20(22)14-12-10-8-6-4-2/h15-22H,3-14H2,1-2H3.
What are the key properties of 1-(3-hydroxydec-1-enoxy)dec-1-en-3-ol?
1-(3-hydroxydec-1-enoxy)dec-1-en-3-ol has a molecular weight of 326.52 g/mol, XLogP of 5.47, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxydec-1-enoxy)dec-1-en-3-ol is sourced from PubChem (CID 57117434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).