3,3-dimethyl-8-methylidene-2,4-dioxaspiro[5.6]dodec-9-ene

C13H20O2 — CID 101481053

IUPAC3,3-dimethyl-8-methylidene-2,4-dioxaspiro[5.6]dodec-9-ene
SMILESC=C1C=CCCC2(COC(C)(C)OC2)C1
InChIInChI=1S/C13H20O2/c1-11-6-4-5-7-13(8-11)9-14-12(2,3)15-10-13/h4,6H,1,5,7-10H2,2-3H3
InChIKeyFDFRJMJUAQTSNN-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.05
Rot. Bonds

About 3,3-dimethyl-8-methylidene-2,4-dioxaspiro[5.6]dodec-9-ene

3,3-dimethyl-8-methylidene-2,4-dioxaspiro[5.6]dodec-9-ene (PubChem CID 101481053) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3,3-dimethyl-8-methylidene-2,4-dioxaspiro[5.6]dodec-9-ene.

Molecular Properties

Compound Name3,3-dimethyl-8-methylidene-2,4-dioxaspiro[5.6]dodec-9-ene
PubChem CID101481053
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3,3-dimethyl-8-methylidene-2,4-dioxaspiro[5.6]dodec-9-ene
SMILESC=C1C=CCCC2(COC(C)(C)OC2)C1
InChIInChI=1S/C13H20O2/c1-11-6-4-5-7-13(8-11)9-14-12(2,3)15-10-13/h4,6H,1,5,7-10H2,2-3H3
InChIKeyFDFRJMJUAQTSNN-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-[(E)-3-ethyl-2-methylpent-3-en-2-yl]-2,2-dimethyl-1,3-dioxane
CID 11746336
3,3-Dimethyl-2,4-dioxaspiro[5.5]undec-9-ene
CID 20307661
10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene
CID 11066209
5-Allyl-2,2-dimethyl-5-(3-methylbut-2-en-1-yl)-1,3-dioxane
CID 101415255
(8'aR)-5,5,8'a-trimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-1,5,6,8-tetrahydroazulene]
CID 135067358
2-(3,5-Dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane
CID 19803370
3,3,11-Trimethyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 20307640
3-Ethyl-3-methyl-2,4-dioxaspiro[5.5]undec-9-ene
CID 20307653
10-Methyl-2,4-dioxaspiro[5.5]undec-9-ene
CID 20307655
3,10-Dimethyl-2,4-dioxaspiro[5.5]undec-9-ene
CID 20307664
(4S)-4-(3-ethyl-2-methylpent-3-en-2-yl)-2,2-dimethyl-1,3-dioxane
CID 53673789
2-Tert-butyl-2-(3,5-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane
CID 57041390

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-8-methylidene-2,4-dioxaspiro[5.6]dodec-9-ene?
The IUPAC name of 3,3-dimethyl-8-methylidene-2,4-dioxaspiro[5.6]dodec-9-ene (CID 101481053) is 3,3-dimethyl-8-methylidene-2,4-dioxaspiro[5.6]dodec-9-ene.
What is the SMILES notation for 3,3-dimethyl-8-methylidene-2,4-dioxaspiro[5.6]dodec-9-ene?
The canonical SMILES for 3,3-dimethyl-8-methylidene-2,4-dioxaspiro[5.6]dodec-9-ene is C=C1C=CCCC2(COC(C)(C)OC2)C1.
What is the InChIKey of 3,3-dimethyl-8-methylidene-2,4-dioxaspiro[5.6]dodec-9-ene?
The InChIKey is FDFRJMJUAQTSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-11-6-4-5-7-13(8-11)9-14-12(2,3)15-10-13/h4,6H,1,5,7-10H2,2-3H3.
What are the key properties of 3,3-dimethyl-8-methylidene-2,4-dioxaspiro[5.6]dodec-9-ene?
3,3-dimethyl-8-methylidene-2,4-dioxaspiro[5.6]dodec-9-ene has a molecular weight of 208.30 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-8-methylidene-2,4-dioxaspiro[5.6]dodec-9-ene is sourced from PubChem (CID 101481053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).