(6Z)-1,4-dioxaspiro[4.7]dodec-6-ene

C10H16O2 — CID 12592638

IUPAC(6Z)-1,4-dioxaspiro[4.7]dodec-6-ene
SMILESC1=C\C2(CCCCC/1)OCCO2
InChIInChI=1S/C10H16O2/c1-2-4-6-10(7-5-3-1)11-8-9-12-10/h4,6H,1-3,5,7-9H2/b6-4-
InChIKeyGDTJPSQXCVTAKK-XQRVVYSFSA-N
MW168.24 g/mol
LogP2.25
Rot. Bonds

About (6Z)-1,4-dioxaspiro[4.7]dodec-6-ene

(6Z)-1,4-dioxaspiro[4.7]dodec-6-ene (PubChem CID 12592638) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (6Z)-1,4-dioxaspiro[4.7]dodec-6-ene.

Molecular Properties

Compound Name(6Z)-1,4-dioxaspiro[4.7]dodec-6-ene
PubChem CID12592638
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(6Z)-1,4-dioxaspiro[4.7]dodec-6-ene
SMILESC1=C\C2(CCCCC/1)OCCO2
InChIInChI=1S/C10H16O2/c1-2-4-6-10(7-5-3-1)11-8-9-12-10/h4,6H,1-3,5,7-9H2/b6-4-
InChIKeyGDTJPSQXCVTAKK-XQRVVYSFSA-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

1,4-Dioxaspiro(4.6)undec-6-ene
CID 279481
1,4-Dioxaspiro[4.5]dec-6-ene
CID 559316
(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 13297721
(z,z)-6,9-Heneicosadien-11-one ethylene ketal
CID 129866832
(4S)-4-[(E)-dec-1-enyl]-2,2-dimethyl-1,3-dioxolane
CID 101188588
(3aS,6aR)-spiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
CID 10464917
2-(Deca-1,4-dien-1-YL)-2-decyl-1,3-dioxolane
CID 71422196
4,6,8-Trioxadispiro[4.1.57.25]tetradec-11-ene
CID 90704592
Oct-2-en-4-one ethyleneketal
CID 129813424
7-Ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+)
CID 166436839
3a,4,5,6,7,9a-Hexahydrocycloocta-1,3-dioxole-2-thione
CID 5368933
1-Acetylcyclohexene ethyleneacetal
CID 10678693

Frequently Asked Questions

What is the IUPAC name of (6Z)-1,4-dioxaspiro[4.7]dodec-6-ene?
The IUPAC name of (6Z)-1,4-dioxaspiro[4.7]dodec-6-ene (CID 12592638) is (6Z)-1,4-dioxaspiro[4.7]dodec-6-ene.
What is the SMILES notation for (6Z)-1,4-dioxaspiro[4.7]dodec-6-ene?
The canonical SMILES for (6Z)-1,4-dioxaspiro[4.7]dodec-6-ene is C1=C\C2(CCCCC/1)OCCO2.
What is the InChIKey of (6Z)-1,4-dioxaspiro[4.7]dodec-6-ene?
The InChIKey is GDTJPSQXCVTAKK-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-4-6-10(7-5-3-1)11-8-9-12-10/h4,6H,1-3,5,7-9H2/b6-4-.
What are the key properties of (6Z)-1,4-dioxaspiro[4.7]dodec-6-ene?
(6Z)-1,4-dioxaspiro[4.7]dodec-6-ene 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 (6Z)-1,4-dioxaspiro[4.7]dodec-6-ene is sourced from PubChem (CID 12592638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).