7,9-dioxadispiro[5.1.58.26]pentadec-14-ene

C13H20O2 — CID 14983154

IUPAC7,9-dioxadispiro[5.1.58.26]pentadec-14-ene
SMILESC1=CC2(CCCCO2)OC12CCCCC2
InChIInChI=1S/C13H20O2/c1-2-6-12(7-3-1)9-10-13(15-12)8-4-5-11-14-13/h9-10H,1-8,11H2
InChIKeyJAYZXCNMCHJVIZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.17
Rot. Bonds

About 7,9-dioxadispiro[5.1.58.26]pentadec-14-ene

7,9-dioxadispiro[5.1.58.26]pentadec-14-ene (PubChem CID 14983154) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 7,9-dioxadispiro[5.1.58.26]pentadec-14-ene.

Molecular Properties

Compound Name7,9-dioxadispiro[5.1.58.26]pentadec-14-ene
PubChem CID14983154
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name7,9-dioxadispiro[5.1.58.26]pentadec-14-ene
SMILESC1=CC2(CCCCO2)OC12CCCCC2
InChIInChI=1S/C13H20O2/c1-2-6-12(7-3-1)9-10-13(15-12)8-4-5-11-14-13/h9-10H,1-8,11H2
InChIKeyJAYZXCNMCHJVIZ-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,7-Dimethyl-1,10-dioxaspiro[4.5]dec-3-ene
CID 10535117
(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 101608922
(6R)-2,2,4-trimethyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 102279170
(3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 134993637
2,2-Dimethyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 14832116
2-[1-(3-Iodoprop-1-enyl)cyclohexyl]oxyoxane
CID 70377541
2-(1-Ethenylcyclohexyl)oxyoxane
CID 140985775
2-Hex-1-enyl-2-methoxy-3-methyloxane
CID 150187464
(6R)-5,7,9-trioxadispiro[5.1.58.26]pentadec-14-ene
CID 11469882
2-Methoxy-1-oxaspiro[4.5]dec-3-ene
CID 13070952
(6S)-2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 14832117
(5R,8R)-2,2,8-trimethyl-1,10-dioxaspiro[4.5]dec-3-ene
CID 21608033

Frequently Asked Questions

What is the IUPAC name of 7,9-dioxadispiro[5.1.58.26]pentadec-14-ene?
The IUPAC name of 7,9-dioxadispiro[5.1.58.26]pentadec-14-ene (CID 14983154) is 7,9-dioxadispiro[5.1.58.26]pentadec-14-ene.
What is the SMILES notation for 7,9-dioxadispiro[5.1.58.26]pentadec-14-ene?
The canonical SMILES for 7,9-dioxadispiro[5.1.58.26]pentadec-14-ene is C1=CC2(CCCCO2)OC12CCCCC2.
What is the InChIKey of 7,9-dioxadispiro[5.1.58.26]pentadec-14-ene?
The InChIKey is JAYZXCNMCHJVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-6-12(7-3-1)9-10-13(15-12)8-4-5-11-14-13/h9-10H,1-8,11H2.
What are the key properties of 7,9-dioxadispiro[5.1.58.26]pentadec-14-ene?
7,9-dioxadispiro[5.1.58.26]pentadec-14-ene has a molecular weight of 208.30 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dioxadispiro[5.1.58.26]pentadec-14-ene is sourced from PubChem (CID 14983154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).