(6E)-1,4-dioxaspiro[4.14]nonadec-6-ene

C17H30O2 — CID 24974637

IUPAC(6E)-1,4-dioxaspiro[4.14]nonadec-6-ene
SMILESC1=C/C2(CCCCCCCCCCCC/1)OCCO2
InChIInChI=1S/C17H30O2/c1-2-4-6-8-10-12-14-17(18-15-16-19-17)13-11-9-7-5-3-1/h11,13H,1-10,12,14-16H2/b13-11+
InChIKeyROAZPXQTDYQRHI-ACCUITESSA-N
MW266.42 g/mol
LogP4.98
Rot. Bonds

About (6E)-1,4-dioxaspiro[4.14]nonadec-6-ene

(6E)-1,4-dioxaspiro[4.14]nonadec-6-ene (PubChem CID 24974637) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (6E)-1,4-dioxaspiro[4.14]nonadec-6-ene.

Molecular Properties

Compound Name(6E)-1,4-dioxaspiro[4.14]nonadec-6-ene
PubChem CID24974637
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(6E)-1,4-dioxaspiro[4.14]nonadec-6-ene
SMILESC1=C/C2(CCCCCCCCCCCC/1)OCCO2
InChIInChI=1S/C17H30O2/c1-2-4-6-8-10-12-14-17(18-15-16-19-17)13-11-9-7-5-3-1/h11,13H,1-10,12,14-16H2/b13-11+
InChIKeyROAZPXQTDYQRHI-ACCUITESSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.98
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 (6E)-1,4-dioxaspiro[4.14]nonadec-6-ene?
The IUPAC name of (6E)-1,4-dioxaspiro[4.14]nonadec-6-ene (CID 24974637) is (6E)-1,4-dioxaspiro[4.14]nonadec-6-ene.
What is the SMILES notation for (6E)-1,4-dioxaspiro[4.14]nonadec-6-ene?
The canonical SMILES for (6E)-1,4-dioxaspiro[4.14]nonadec-6-ene is C1=C/C2(CCCCCCCCCCCC/1)OCCO2.
What is the InChIKey of (6E)-1,4-dioxaspiro[4.14]nonadec-6-ene?
The InChIKey is ROAZPXQTDYQRHI-ACCUITESSA-N. The full InChI is InChI=1S/C17H30O2/c1-2-4-6-8-10-12-14-17(18-15-16-19-17)13-11-9-7-5-3-1/h11,13H,1-10,12,14-16H2/b13-11+.
What are the key properties of (6E)-1,4-dioxaspiro[4.14]nonadec-6-ene?
(6E)-1,4-dioxaspiro[4.14]nonadec-6-ene has a molecular weight of 266.42 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-1,4-dioxaspiro[4.14]nonadec-6-ene is sourced from PubChem (CID 24974637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).