(2Z)-2-[(E)-hex-2-enylidene]-6-oxaspiro[4.5]dec-3-ene

C15H22O — CID 87553758

IUPAC(2Z)-2-[(E)-hex-2-enylidene]-6-oxaspiro[4.5]dec-3-ene
SMILESCCC/C=C/C=C1\C=CC2(CCCCO2)C1
InChIInChI=1S/C15H22O/c1-2-3-4-5-8-14-9-11-15(13-14)10-6-7-12-16-15/h4-5,8-9,11H,2-3,6-7,10,12-13H2,1H3/b5-4+,14-8+
InChIKeyXLIMWUCIXOHRBM-DLBFRJOTSA-N
MW218.34 g/mol
LogP4.17
Rot. Bonds3

About (2Z)-2-[(E)-hex-2-enylidene]-6-oxaspiro[4.5]dec-3-ene

(2Z)-2-[(E)-hex-2-enylidene]-6-oxaspiro[4.5]dec-3-ene (PubChem CID 87553758) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (2Z)-2-[(E)-hex-2-enylidene]-6-oxaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name(2Z)-2-[(E)-hex-2-enylidene]-6-oxaspiro[4.5]dec-3-ene
PubChem CID87553758
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(2Z)-2-[(E)-hex-2-enylidene]-6-oxaspiro[4.5]dec-3-ene
SMILESCCC/C=C/C=C1\C=CC2(CCCCO2)C1
InChIInChI=1S/C15H22O/c1-2-3-4-5-8-14-9-11-15(13-14)10-6-7-12-16-15/h4-5,8-9,11H,2-3,6-7,10,12-13H2,1H3/b5-4+,14-8+
InChIKeyXLIMWUCIXOHRBM-DLBFRJOTSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-hex-2-enylidene]-6-oxaspiro[4.5]dec-3-ene?
The IUPAC name of (2Z)-2-[(E)-hex-2-enylidene]-6-oxaspiro[4.5]dec-3-ene (CID 87553758) is (2Z)-2-[(E)-hex-2-enylidene]-6-oxaspiro[4.5]dec-3-ene.
What is the SMILES notation for (2Z)-2-[(E)-hex-2-enylidene]-6-oxaspiro[4.5]dec-3-ene?
The canonical SMILES for (2Z)-2-[(E)-hex-2-enylidene]-6-oxaspiro[4.5]dec-3-ene is CCC/C=C/C=C1\C=CC2(CCCCO2)C1.
What is the InChIKey of (2Z)-2-[(E)-hex-2-enylidene]-6-oxaspiro[4.5]dec-3-ene?
The InChIKey is XLIMWUCIXOHRBM-DLBFRJOTSA-N. The full InChI is InChI=1S/C15H22O/c1-2-3-4-5-8-14-9-11-15(13-14)10-6-7-12-16-15/h4-5,8-9,11H,2-3,6-7,10,12-13H2,1H3/b5-4+,14-8+.
What are the key properties of (2Z)-2-[(E)-hex-2-enylidene]-6-oxaspiro[4.5]dec-3-ene?
(2Z)-2-[(E)-hex-2-enylidene]-6-oxaspiro[4.5]dec-3-ene has a molecular weight of 218.34 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-hex-2-enylidene]-6-oxaspiro[4.5]dec-3-ene is sourced from PubChem (CID 87553758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).