13,15-dioxabicyclo[10.5.0]heptadec-1-ene

C15H26O2 — CID 70587367

IUPAC13,15-dioxabicyclo[10.5.0]heptadec-1-ene
SMILESC1=C2CCOCOC2CCCCCCCCC1
InChIInChI=1S/C15H26O2/c1-2-4-6-8-10-15-14(9-7-5-3-1)11-12-16-13-17-15/h9,15H,1-8,10-13H2
InChIKeyNDPLDAPNUYGLTR-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.20
Rot. Bonds

About 13,15-dioxabicyclo[10.5.0]heptadec-1-ene

13,15-dioxabicyclo[10.5.0]heptadec-1-ene (PubChem CID 70587367) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 13,15-dioxabicyclo[10.5.0]heptadec-1-ene.

Molecular Properties

Compound Name13,15-dioxabicyclo[10.5.0]heptadec-1-ene
PubChem CID70587367
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name13,15-dioxabicyclo[10.5.0]heptadec-1-ene
SMILESC1=C2CCOCOC2CCCCCCCCC1
InChIInChI=1S/C15H26O2/c1-2-4-6-8-10-15-14(9-7-5-3-1)11-12-16-13-17-15/h9,15H,1-8,10-13H2
InChIKeyNDPLDAPNUYGLTR-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.20
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 13,15-dioxabicyclo[10.5.0]heptadec-1-ene?
The IUPAC name of 13,15-dioxabicyclo[10.5.0]heptadec-1-ene (CID 70587367) is 13,15-dioxabicyclo[10.5.0]heptadec-1-ene.
What is the SMILES notation for 13,15-dioxabicyclo[10.5.0]heptadec-1-ene?
The canonical SMILES for 13,15-dioxabicyclo[10.5.0]heptadec-1-ene is C1=C2CCOCOC2CCCCCCCCC1.
What is the InChIKey of 13,15-dioxabicyclo[10.5.0]heptadec-1-ene?
The InChIKey is NDPLDAPNUYGLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-4-6-8-10-15-14(9-7-5-3-1)11-12-16-13-17-15/h9,15H,1-8,10-13H2.
What are the key properties of 13,15-dioxabicyclo[10.5.0]heptadec-1-ene?
13,15-dioxabicyclo[10.5.0]heptadec-1-ene has a molecular weight of 238.37 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13,15-dioxabicyclo[10.5.0]heptadec-1-ene is sourced from PubChem (CID 70587367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).