2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane

C15H24O2 — CID 134858588

IUPAC2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane
SMILESC/C=C/C1CCCC2(CCCC(/C=C/C)O2)O1
InChIInChI=1S/C15H24O2/c1-3-7-13-9-5-11-15(16-13)12-6-10-14(17-15)8-4-2/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3/b7-3+,8-4+
InChIKeyHTOLHUOMTBEYEV-FCXRPNKRSA-N
MW236.36 g/mol
LogP3.97
Rot. Bonds2

About 2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane

2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane (PubChem CID 134858588) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane
PubChem CID134858588
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane
SMILESC/C=C/C1CCCC2(CCCC(/C=C/C)O2)O1
InChIInChI=1S/C15H24O2/c1-3-7-13-9-5-11-15(16-13)12-6-10-14(17-15)8-4-2/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3/b7-3+,8-4+
InChIKeyHTOLHUOMTBEYEV-FCXRPNKRSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.97
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

1,7-Dioxaspiro[5.5]undec-4-ene
CID 565984
1,7-Dioxaspiro[5.5]undec-3-ene
CID 10103357
(6R)-1,7-dioxaspiro[5.5]undec-4-ene
CID 13841635
2,8-Bis(ethenyl)-1,7-dioxaspiro[5.5]undecane
CID 134840281
(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane
CID 134857983
(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
8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane
CID 162415276
(4S,6S,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 162415278
(4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 162415279
2-Methyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 14832114

Frequently Asked Questions

What is the IUPAC name of 2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of 2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane (CID 134858588) is 2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for 2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for 2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane is C/C=C/C1CCCC2(CCCC(/C=C/C)O2)O1.
What is the InChIKey of 2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane?
The InChIKey is HTOLHUOMTBEYEV-FCXRPNKRSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-7-13-9-5-11-15(16-13)12-6-10-14(17-15)8-4-2/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3/b7-3+,8-4+.
What are the key properties of 2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane?
2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane has a molecular weight of 236.36 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 134858588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).