1,6-dioxacyclononadec-3-ene

C17H32O2 — CID 150023417

IUPAC1,6-dioxacyclononadec-3-ene
SMILESC1=CCOCCCCCCCCCCCCCOC1
InChIInChI=1S/C17H32O2/c1-2-4-6-8-10-14-18-16-12-13-17-19-15-11-9-7-5-3-1/h12-13H,1-11,14-17H2
InChIKeyDFSUACVHWVHMHE-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.88
Rot. Bonds

About 1,6-dioxacyclononadec-3-ene

1,6-dioxacyclononadec-3-ene (PubChem CID 150023417) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1,6-dioxacyclononadec-3-ene.

Molecular Properties

Compound Name1,6-dioxacyclononadec-3-ene
PubChem CID150023417
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name1,6-dioxacyclononadec-3-ene
SMILESC1=CCOCCCCCCCCCCCCCOC1
InChIInChI=1S/C17H32O2/c1-2-4-6-8-10-14-18-16-12-13-17-19-15-11-9-7-5-3-1/h12-13H,1-11,14-17H2
InChIKeyDFSUACVHWVHMHE-UHFFFAOYSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-dioxacyclononadec-3-ene?
The IUPAC name of 1,6-dioxacyclononadec-3-ene (CID 150023417) is 1,6-dioxacyclononadec-3-ene.
What is the SMILES notation for 1,6-dioxacyclononadec-3-ene?
The canonical SMILES for 1,6-dioxacyclononadec-3-ene is C1=CCOCCCCCCCCCCCCCOC1.
What is the InChIKey of 1,6-dioxacyclononadec-3-ene?
The InChIKey is DFSUACVHWVHMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-2-4-6-8-10-14-18-16-12-13-17-19-15-11-9-7-5-3-1/h12-13H,1-11,14-17H2.
What are the key properties of 1,6-dioxacyclononadec-3-ene?
1,6-dioxacyclononadec-3-ene has a molecular weight of 268.44 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dioxacyclononadec-3-ene is sourced from PubChem (CID 150023417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).