5-methylidene-1,7-dioxaspiro[5.5]undecane

C10H16O2 — CID 86048919

IUPAC5-methylidene-1,7-dioxaspiro[5.5]undecane
SMILESC=C1CCCOC12CCCCO2
InChIInChI=1S/C10H16O2/c1-9-5-4-8-12-10(9)6-2-3-7-11-10/h1-8H2
InChIKeyWRJKOZOBNRYODY-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.25
Rot. Bonds

About 5-methylidene-1,7-dioxaspiro[5.5]undecane

5-methylidene-1,7-dioxaspiro[5.5]undecane (PubChem CID 86048919) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-methylidene-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name5-methylidene-1,7-dioxaspiro[5.5]undecane
PubChem CID86048919
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-methylidene-1,7-dioxaspiro[5.5]undecane
SMILESC=C1CCCOC12CCCCO2
InChIInChI=1S/C10H16O2/c1-9-5-4-8-12-10(9)6-2-3-7-11-10/h1-8H2
InChIKeyWRJKOZOBNRYODY-UHFFFAOYSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.25
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

2,8-Bis(ethenyl)-1,7-dioxaspiro[5.5]undecane
CID 134840281
(2R,6R)-2-ethenyl-1,7-dioxaspiro[5.5]undecane
CID 134958873
(8R,10R)-10-ethenyl-5,7,9-trioxadispiro[5.1.58.36]hexadecane
CID 134968346
2-Ethenyl-1,7-dioxaspiro[5.5]undecane
CID 154714568
Bis(2-prop-1-en-2-yloxan-2-yl) carbonate
CID 139919530
(2R)-2-ethyl-2-methoxy-3-methylideneoxane
CID 141968322
3-Butyl-1,7-dioxaspiro[5.5]undec-2-ene
CID 10774829
(6S)-4-methylidene-1,7-dioxaspiro[5.5]undecane
CID 15162520
4-Methylene-1,7-dioxaspiro[5.5]undecane
CID 15162521
3-Methyl-1,7-dioxaspiro[5.5]undec-2-ene
CID 52920813
(2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane
CID 71504682
(2R,8R)-2,8-bis(ethenyl)-1,7-dioxaspiro[5.5]undecane
CID 101440859

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of 5-methylidene-1,7-dioxaspiro[5.5]undecane (CID 86048919) is 5-methylidene-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for 5-methylidene-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for 5-methylidene-1,7-dioxaspiro[5.5]undecane is C=C1CCCOC12CCCCO2.
What is the InChIKey of 5-methylidene-1,7-dioxaspiro[5.5]undecane?
The InChIKey is WRJKOZOBNRYODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9-5-4-8-12-10(9)6-2-3-7-11-10/h1-8H2.
What are the key properties of 5-methylidene-1,7-dioxaspiro[5.5]undecane?
5-methylidene-1,7-dioxaspiro[5.5]undecane has a molecular weight of 168.24 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 86048919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).